Physical Property Data Aspen

Part Number: Aspen Physical Property System 11.
1
September 2001
Copyright (c) 1981-2001 by Aspen Technology, Inc. All rights reserved.
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USA
Phone: (617) 949-1000
Fax:
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Contents
For More Information.......................................................................................................viii
Technical Support.............................................................................................................viii
Contacting Customer Support ................................................................................ix
Hours ......................................................................................................................ix
Phone ......................................................................................................................ix
Fax ...........................................................................................................................x
E-mail ......................................................................................................................x
Databanks
1-1
Overview ..........................................................................................................................1-1
Aspen Physical Property System Databanks ....................................................................1-1
Using DFMS to Manage Databanks.................................................................................1-4
DFMS Input Language Conventions....................................................................1-6
DFMS Primary Keywords ....................................................................................1-7
Databanks Available in the Aspen Physical Property System .......................................1-15
AQUEOUS Databank.........................................................................................1-15
AQU92 Databank ...............................................................................................1-16
ASPENPCD Databank........................................................................................1-16
INORGANIC Databank .....................................................................................1-16
PURE11 Databank..............................................................................................1-17
PURE10 Databank..............................................................................................1-18
PURE856 Databank............................................................................................1-18
PURE93 Databank..............................................................................................1-18
SOLIDS Databank..............................................................................................1-18
COMBUST Databank.........................................................................................1-19
ETHYLENE Databank .......................................................................................1-19
Binary Parameters for Activity Coefficient Models.......................................................1-19
Binary Parameters for Vapor-Liquid Applications ............................................1-19
Binary Parameters for Liquid-Liquid Applications............................................1-20
Henrys Law Constants .......................................................................................1-20
Electrolytes Model Parameters.......................................................................................1-21
The Pitzer Parameter ..........................................................................................1-21
The Electrolyte NRTL Parameters .....................................................................1-21
Pure Component Databanks ...........................................................................................1-22
Aqueous Component Databanks ....................................................................................1-68
Combust Component Databank....................................................................................1-111
Physical Property Data 11.1
Contents iii
Ethylene Component Databank ....................................................................................1-113

Inorganic Component Databank...................................................................................1-116
Solids Component Databank ........................................................................................1-174
Electrolytes Data
2-1
Overview ..........................................................................................................................2-1
2-Amino-2-Methyl-1-Propanol with Acid Gases .............................................................2-3
Ammonia and Carbon Dioxide.........................................................................................2-4
Ammonia and Hydrogen Cyanide ....................................................................................2-5
Ammonia and Hydrogen Sulfide......................................................................................2-6
Ammonia and Phosphoric Acid........................................................................................2-7
Ammonia and Sulfur Dioxide ..........................................................................................2-8
Ammonia and Water.........................................................................................................2-8
Brine Solution with Sour Gases........................................................................................2-9
Caustic Solutions ............................................................................................................2-10
Chlorine and Water.........................................................................................................2-11
Chlorine, Hydrogen Chloride, and Sodium Hydroxide..................................................2-11
Diethanolamine with Acid Gases ...................................................................................2-13
Diglycolamine with Acid Gases .....................................................................................2-14
Flue-Gas and Water ........................................................................................................2-15
Hot Carbonate CO2 Absorption .....................................................................................2-17
Hot Carbonate with Diethanolamine ..............................................................................2-18
Hydrogen Bromide .........................................................................................................2-19
Hydrogen Chloride .........................................................................................................2-19
Hydrogen Chloride and Magnesium Chloride................................................................2-20
Hydrogen Fluoride..........................................................................................................2-21
Hydrogen Iodide and Water ...........................................................................................2-22
Methyldiethanolamine with Acid Gases.........................................................................2-22
Monoethanolamine with Acid Gases..............................................................................2-24
Nitric Acid ......................................................................................................................2-25
Potassium Hydroxide......................................................................................................2-25
Sodium Hydroxide..........................................................................................................2-26
Sodium Hydroxide and Sulfur Dioxide..........................................................................2-27
Sour Water......................................................................................................................2-28
Sour Water and Caustic ..................................................................................................2-28
Sulfuric Acid...................................................................................................................2-30
Sulfuric Acid and Hydrogen Bromide............................................................................2-30
Sulfuric Acid and Hydrogen Chloride............................................................................2-31
Group Contribution Method Functional Groups
3-1
Overview ..........................................................................................................................3-1
PCES Functional Groups..................................................................................................3-1
Table 3.1 Ambrose Method Functional Groups ..................................................3-2
Table 3.2 Benson Method Functional Groups.....................................................3-4
Table 3.2A BensonR8 Method Functional Groups ...........................................3-15
Table 3.3 Bondi Method Functional Groups .....................................................3-24
iv Contents
Table 3.3A Ducros Method Functional Groups ................................................3-26

Table 3.4 Fedors Method Functional Groups....................................................3-34
Table 3.4A Gani Method Functional Groups ....................................................3-36
Table 3.5 Joback Method Functional Groups....................................................3-42
Table 3.6 Le Bas Method Functional Groups....................................................3-44
Table 3.6A Li-Ma Method Functional Groups..................................................3-44
Table 3.7 Lydersen Method Functional Groups................................................3-48
Table 3.7A Mostafa Method Functional Groups...............................................3-50
Table 3.8 Ogata-Tsuchida Method Functional Groups .....................................3-56
Table 3.9 Orrick-Erbar Method Functional Groups ..........................................3-58
Table 3.10 Parachor Method Functional Groups...............................................3-59
Table 3.11 Reichenberg Method Functional Groups.........................................3-60
Table 3.11A Ruzicka Method Functional Groups.............................................3-61
UNIFAC Functional Groups ..........................................................................................3-67
Table 3.12 UNIFAC Method Functional Groups..............................................3-68
Table 3.13 Special UNIFAC Liquid-Liquid Functional Groups.......................3-72
Table 3.14 Vapor-Liquid Systems UNIFAC Group Interaction Parameters.....3-73
Table 3.15 Liquid-Liquid Systems UNIFAC Group Interaction Parameters....3-74
Table 3.16 Group Interaction Parameters for Lyngby Modified UNIFAC.......3-75
Table 3.17 Group Interaction Parameters for Dortmund Modified UNIFAC
Model..................................................................................................................3-76
Table 3.18 Group Interaction Parameters for UNIFAC Model Revision 3.......3-77
Table 3.19 Group Interaction Parameter for UNIFAC Model Revision 4 ........3-78
Notes...............................................................................................................................3-79
Property Sets
4-1
Overview ..........................................................................................................................4-1
Table 4.1 Mixture Thermodynamic Properties.....................................................4-3
Table 4.2 Thermodynamic Properties of Components in Mixtures .....................4-5
Table 4.3 Pure Component Thermodynamic Properties ......................................4-6
Table 4.4 Electrolyte Properties ...........................................................................4-7
Table 4.5 Transport Properties .............................................................................4-8
Table 4.6 Petroleum-Related Properties for Mixtures..........................................4-9
Table 4.7 Elemental Analysis of Mixtures .........................................................4-15
Table 4.8 Nonconventional Component Properties............................................4-16
Table 4.9 Valid Properties for Substream ALL..................................................4-16
Notes...............................................................................................................................4-17
Contents v
vi Contents
About This Manual

This manual includes technical reference information and listings
for all Aspen Physical Property System databanks, electrolytes
data, group contribution method functional groups, and property
sets. Much of this information is also available in online prompts
and help.
For information on property option sets, property methods, models,
and parameter estimation, see Physical Property Methods and
Models.
An overview of the Aspen Physical Property System physical
property system, and information about how to use its full range
and power, is in the Aspen Plus and Aspen Properties User Guides,
as well as in online help and prompts in Aspen Plus and Aspen
Properties.
About This Manual vii
For More Information

The Aspen Physical Property System has a
complete system of online help and context-sensitive prompts. The
help system contains both context-sensitive help and reference
information.
Online Help
Aspen Physical Property

System reference manuals provide detailed technical reference
information about the physical property calculation system
supplied with Aspen Plus and Aspen Properties.
Physical Property Reference Manuals
Aspen Plus
reference manuals provide background information about
Aspen Plus and Aspen Properties.
Aspen Plus and Aspen Properties manuals
The manuals are delivered in Adobe portable document format

(PDF).
Technical Support
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products and services, check the AspenTech World Wide Web
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Technical resources AspenTech customers with a valid license

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viii About This Manual
Contacting Customer
Support
Customer support is also available by phone, fax, and email for

customers with a current support contract for this product. For the
most up-to-date phone listings, please see the Online Technical
Support Center at http://support.aspentech.com.
The following contact information was current when this product
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Hours
Phone
Support Centers
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About This Manual ix
Fax
E-mail
x About This Manual
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TK_Support@aspentech.com (Tokyo: All other suites)
CHAPTER 1
Databanks
Overview
Physical property models require parameters to calculate
properties. After you have selected the option set(s) to be used in a
calculation, you must determine the parameter requirements and
ensure that all required parameters are available. The required
parameters can be retrieved from databanks, entered directly on the
Properties Parameters forms, or estimated by the Aspen Physical
Property System using the Property Constant Estimation System
(PCES).
This chapter discusses:
the Aspen Physical Property System databanks
Use of the Data File Management System (DFMS) to manage
databanks
Databanks available in the Aspen Physical Property System
Binary parameters for activity coefficient models
Electrolytes model parameters
The use of the Properties Parameters forms to enter parameters and
the use of parameter estimation are described in the Aspen Plus
User Guide, Chapter 8 and in the Aspen Properties User Guide.
Aspen Physical Property System

Databanks
Aspen Physical Property System physical property databanks are
listed in Table 1.1. There are three categories of databanks: system,
in-house, and user.
Databanks 1-1
System databanks System databanks are part of the Aspen Physical

Property System and are delivered with it. You can modify the
system databanks to add your own components or parameters. But
this practice is discouraged. If you have a large amount of data, use
the in-house databank instead. System databanks are available for
every Aspen Physical Property System calculation. Property
parameters are retrieved automatically from the PURECOMP,
SOLIDS, AQUEOUS, INORGANIC, and BINARY databanks. To
retrieve parameters from other databanks, use the
Components.Main form.
Tables 1.2 through 1.15 list the parameters available in:
AQUEOUS, ASPENPCD, INORGANIC, PURE10, PURE856,
PURE93,SOLIDS and COMBUST. See Databanks Available in
the Aspen Physical Property System for descriptions of these
databanks.
In-house databanks Use the in-house databanks when you have a
large amount of in-house data to be used in the Aspen Physical
Property System. These databanks are independent of the system
databanks. Your system administrator for AspenTech software
must create and activate in-house databanks. (See Using DFMS to
Manage Databanks for information about creating in-house
databanks.) Information on activation of in-house databanks is in
Aspen Plus System Management.
User databanks User databanks are appropriate when certain data
are not intended for all Aspen Physical Property System users.
This may occur when the accuracy of the data is in question, or
when data are of a proprietary nature. Use the Aspen Physical
Property Data File Management System (DFMS) to create user
databanks. (See Using DFMS to Manage Databanks.) These
databanks can be used in any Aspen Physical Property System
calculation.
Any in-house or user databanks you created using DFMS must also
be installed on ModelManager (see Aspen Plus System
Management, Chapter 6, for installation instructions).
1-2 Databanks
Table 1.1
Aspen Physical Property System Physical Property Databanks
System Databanks
Databank
Name
Password
Maximum Maximum
Maximum
Type Parameters Components Pairs
Description
PURE11
PURE11
PP1 100
2500
ASPENPCD
ASPENPCD
PP1 40
1000
SOLIDS
AQUEOUS
BINARY
COMBUST
ETHYLENE
INORGANIC
SOLIDS
PP1
AQUEOUS PP1
BINARY
PP2
COMBUST PP1
ETYHYLENE PP2
INORGANIC PP1
4000
4000
100
4000
100
2500
3000
3000
PURE856
PURE856
PP1 100
2500
PURE93
PURE93
PP1 100
2500
PURE10
PURE10
PP1 100
2500
AQU92
AQU92
PP1 40
4000
40
40
20
40
20
25
Main pure component

databank
Aspen Physical Property
System pure component
databank
Solid component databank
Aqueous component databank
Binary databank
Combustion databank
Ethylene databank
Inorganic component
databank
Pure component databank
from release 8.5 6
from release 9.3
from version 10.2
AQUEOUS databank for
Release 9.2
In-House Databanks
Databank
Name
Password
Maximum Maximum
Maximum
Description
INHSPCD
INHSPCD
PP1 40
1800
INHSSOL
INHSAQUS
INHSSOL
INHSAQUS
PP1 25
PP1 40
2500
4000
INHSBIN
INHSBIN
PP2 20
100
3000
In-house pure component

databank
In-house SOLIDS databank
In-house AQUEOUS
databank
In-house binary databank
User Databanks
Databank
Name
Password
USRPP1A
USRPP1B
USRPP2A
USRPP2B
Maximum Maximum
Maximum
Description
PP1
PP1
PP2
PP2
40
40
20
20
500
500
100
100
3000
3000
User PP1 databank

User PP1 databank
User PP2 databank
User PP2 databank
Assigned by the user
Databanks 1-3
See Using DFMS to Manage Databanks, this chapter, for an

explanation of Type.
Using DFMS to Manage Databanks

DFMS is a system for creating and updating system, in-house, or
user physical property databanks. The five major functions of
DFMS are to:
Create a new databank
Add new data to an existing databank
Delete data from an existing databank
Copy data from one databank to another
Print the contents of a databank
DFMS is a peripheral system of the Aspen Physical Property
System. It has its own run procedure, which is different for each
operating system. DFMS is described in Aspen Plus System
Management.
Physical property databanks have directories of information about
the type and location of data they contain. The directory structure
reflects the databank type. Two types of databanks can be created
and maintained by DFMS: Type 1 (or PP1 databank) and Type 2
(or PP2 databank).
Type 1 (PP1 databank) Has an unpacked structure. There is space
for any combination of components and parameters. It resembles a
grid, with all components listed on one axis and parameters on the
other. There may be holes in the data file, if parameter values are
missing (the file is not packed full). This type of databank uses
only one parameter directory. Every component has the same
parameters and the same structure. The grid and data structure are
illustrated in Figure 1.1.
1-4 Databanks
(a) Grid Structure
(b) Data Structure

A1
PARAMETERS
3
2
A2
4
A3
A4
B1
.
.
.
D
E
F3
F4
Figure 1.1 Unpacked Structure Databank
Type 2 (or PP2 databank) Has a packed structure, which differs

from the unpacked structure in two ways:
Each component has its own parameter directory and may have
a unique set of parameters.
Data are not stored positionally. Pointers track the data, so the
file is packed full.
Figure 1.2 demonstrates how pointers are used in the PP2 databank
structure.
PARAMETER
DIRECTORIES
1
2
COMPONENT
DIRECTORY
A1
A2
A3
A
B
PARAMETER
VALUES
C2
B4
C
2
C4
C5
5
Figure 1.2 Packed Structure Databank
A PP2 databank uses space more efficiently than a PP1 databank,

but the PP2 databank requires increased overhead when storing or
retrieving data. The PP1 structure is appropriate when most of the
Databanks 1-5
values are available for a relatively comprehensive set of

parameters, common to all of the components included. The PP2
structure is intended for parameters not appropriate for a PP1 file.
All binary pair parameters, for example, must be stored in PP2
databanks.
In addition to a type, all databanks have names and passwords.
Table 1.1 lists the databanks recognized by DFMS. The passwords
listed for system databanks and in-house databanks are recognized
by DFMS. For user databanks, you must use input language to
assign a password.
DFMS Input
Language
Conventions
For readers familiar with Aspen Plus input language, the DFMS
input language is similar:
Keywords are written in sentences and paragraphs.
Only primary keywords start in column one.
Titles are enclosed in single quotes.
Descriptions are enclosed in double quotes.
Binary pairs are enclosed in parentheses.
The slash (/) is used to separate sentences.
Comment lines are allowed. Each comment line must begin
with
a semicolon (;).
However, in DFMS input language:
The sentence continuation character, the ampersand (&), is not
needed.
DFMS input is processed in two separate passes: first the
TITLE, DESCRIPTION, FILE, and NO-ECHO commands are
processed. On the second pass all remaining commands are
processed.
The DFMS primary keywords are:
COPY
CLEAN-UP
DELETE
1-6 Databanks
DESCRIPTION
END- INPUT
FILE
NEW- COMP
NEW- PROP
NO-ECHO
PRINT-DATA
PRINT-DIR
PROP- DATA
TITLE
WRFILE
You can enter each primary keyword only once in a DFMS run. In
addition, the following limitations apply:
Maximum
In a
32 Characters
12 Characters
6 Characters
16 Elements
8 Elements
100 Paragraphs
1000 Sentences
100 Arguments
Component name
Component alias
Parameter name
Unary parameter
Binary parameter
Run
Paragraph
Tertiary keyword
You may need to create several DFMS input files when building a
large databank. Create the databank by making enough DFMS runs
to use all the input files. The maximum number of components
allowed in a databank and the maximum number of parameters per
component are listed in Table 1.1.
DFMS Primary
Keywords
There are four types of DFMS keywords:

Purpose
Keywords
General utility
TITLE, DESCRIPTION, CLEAN-UP,

END-INPUT
Defining databank
FILE, WRFILE, NEW-COMP,
characteristics
NEW-PROP
Entering or deleting databank COPY, DELETE, PROP-DATA
data
Controlling databank reports NO-ECHO, PRINT-DIR, PRINT-DATA
TITLE and
DESCRIPTION
Your title is printed on each page of the DFMS report file, and
your description is printed at the beginning of the report.
Input Language
TITLE
up to 64 characters enclosed in single quotes
DESCRIPTION
CLEAN-UP
"any amount of text entered on any number

of lines
and enclosed in double quotes"
CLEAN-UP compresses a databank file. Using CLEAN-UP is

recommended after several deletions from a databank.
Input Language
CLEAN-UP
END-INPUT
END-INPUT must be the last keyword given to DFMS. It

terminates DFMS, and any keywords that follow are ignored.
Input Language
END-INPUT
Databanks 1-7
FILE
FILE is used to specify the databank names and passwords of all

databanks used during a DFMS run. It also specifies whether the
databank is old or newly created.
Input Language
FILE
name
password
NEW
OLD
Input Language Description
name
Name of the databank obtained from Table

1.1.
password
Password for the system, in-house, and user

databanks (see Table 1.1). A user-supplied
password identical to the external file name
is recommended, to avoid confusion. This
password is also used to retrieve parameters
from the databank in an Aspen Physical
Property System calculation.
NEW
For a new databank
OLD
For an old databank (Default)
Example 1
Creating a user databank
A user PP1 databank USRPP1A is created. The password is XYZ.

It references the ASPENPCD. The FILE paragraph required is:
FILE
WRFILE
USRPP1A
XYZ
NEW
ASPENPCD
ASPENPCD
OLD
WRFILE specifies that the databank can be written to. This

command must precede the PROP-DATA, NEW-COMP, NEWPROP, COPY, DELETE, and CLEAN-UP paragraphs.
You cannot have more than one WRFILE paragraph in a DFMS
run.
Input Language
WRFILE
password
[auth]
NEW-COMP
1-8 Databanks
password
Password for the databank
auth
Optional authorization code. Needed only

when you want to modify the built-in
system databanks from the Aspen Physical
Property System.
Use the NEW-COMP paragraph to add new components to a

databank. If you use the COPY paragraph to copy data from
another databank, the NEW-COMP paragraph is not required. No
more than 1000 components can be added using NEW-COMP in a
single DFMS run. Table 1.1 shows the maximum number of
components or component pairs allowed for each Aspen Physical

Property System databank.
Input Language
To add components:
NEW-COMP
cname
calias
. . .
To add binary pairs:

(cname1
cname2)
(calias1
calias2)
. . .
cname, cname1,
cname2
Component name. If the component name

contains embedded blanks, it must be
enclosed in single quotes.
calias, calias1, calias2 Component alias. If the alias name contains

embedded blanks, it must be enclosed in
single quotes.
NEW-PROP
Use the NEW-PROP paragraph to add new property parameters to

a databank. The NEW-PROP paragraph is not required if you use
a COPY paragraph to copy data from another databank. Table 1.1
shows the maximum number of parameters per component that can
be stored in each Aspen Physical Property System databank.
Input Language
NEW-PROP
paramname
nelem
. . .
paramname
Parameter name
nelem
Number of elements in the parameter
Example 1
Adding parameters to a databank
The following parameters are added to a databank: TC, PC, CPIG,

PLXANT, and MW. The number of elements for each parameter is
1, 1, 11, 9, and 1.
NEW-PROP
COPY and DELETE
TC
PC 1
CPIG 11
PLXANT 9
/ MW 1
Use the COPY paragraph to copy information from one databank

to another. Use the DELETE paragraph to delete information from
a databank. You can copy or delete data for certain properties, all
properties, or all components.
Input Language
COPY password
COMPS=cname-list
PROPS=paramname-list
[NEW-NAMES=cname-list]
/
PAIRS=pair-list PROPS=paramname-list
[NEW-NAMES=cname-list]
DELETE
COMPS=cname-list
PAIRS=pair-list
Databanks 1-9
password
Password of the databank from which data

are copied
COMPS
List of component names or aliases to be

copied or deleted. There is a limit of 100
components for a COPY or DELETE
paragraph. If COMPS=ALL, all components
are copied. COMP=ALL is used only with
the copy paragraph. You must specify the
component names or aliases if you use the
DELETE paragraph or if there are more
than 100 components in the databank.
PROPS
List of property names to be copied or

deleted. To delete a component from the
databank, specify PROPS=ALL
(Default=ALL).
NEW-NAMES
Optional list of new component names; used

for COPY only.
PAIRS
List of component pairs to be copied or

deleted, in the form (cname1 cname2)
(cname3 cname4), and so on. There is a
limit of 50 pairs for a COPY or DELETE
paragraph. If PAIRS=(ALL ALL), all
component pairs are copied. You can use
PAIRS=(ALL ALL) only with the COPY
paragraph. You must specify the names or
aliases of the component pairs if you use the
DELETE paragraph, or if the databank
contains more than 100 component pairs (as
defined in the NEW-COMP paragraphs).
Example: Creating a User Databank Using COPY
A user databank is created by copying data from the ASPENPCD.

The components are CH4, H2O, C6H6, and C2H6O-2. The
properties to be copied for each component are MW, TC, PC, VC,
CPIG, PLXANT, DHVLWT, and RKTZRA.
COPY
ASPENPCD
PROPS=MW
COMPS=CH4
TC PC VC
H2O
CPIG
C6H6
C2H6O-2
PLXANT DHVLWT RKTZRA
Example: Deleting a Component
All data for methane are deleted from the databank in Example 1.
DELETE
1-10 Databanks
COMPS=CH4
PROP-DATA
Use PROP-DATA to add parameter values to new or existing

databanks. Eight sentences are associated with this command. Each
sentence must start on a new line, but not in column one.
You can enter parameter values in one of two ways. The PROPLIST form is more convenient when there are more parameters
than components. The COMP-LIST form is more convenient when
components outnumber parameters. You must enter all data in SI
units, because DFMS does not perform units conversion. Only one
PROP-DATA paragraph is allowed in each DFMS run.
Input Language
PROP-DATA
PROP-LIST
paramname
srcode / . . .
PVAL
cname
value-list / value-list /
. . .
PROP-LIST
paramname
srcode / . . .
BPVAL
cname1 cname2 value-list / value-list / . . .
COMP-LIST
cname-list
CVAL
paramname
srcode
0
elemno
value-list
elemno
value-list / . . .
COMP-LIST
cname-list
BCVAL
paramname srcode 0 elemno cname1 value-list
elemno
cname2
value-list / . . .
PROP-LIST
Used to enter parameter names and source

code
paramname
Parameter name
srcode
Parameter source code. Use any integer

value.
PVAL
Used to enter the PROP-LIST parameter

values
cname
Component name or alias
value-list
List of parameter values. Enter one value for

each element of the parameters listed in
corresponding PROP-LIST sentences.
BPVAL
Used to enter the PROP-LIST binary

parameter values
cname1
Component name or alias of first component

of binary pair
cname2
Component name or alias of second

component of binary pair
Databanks 1-11
value-list
List of binary parameter values. Enter two

values for each element of the binary
parameters listed in the corresponding
PROP-LIST sentence. The two values
entered are for the cname1-cname2 and the
cname2-cname1 pairs.
COMP-LIST
Used to enter component names or aliases;

the COMP-LIST sentence cannot contain
more than seven components.
cname-list
List of component names or aliases
CVAL
Used to enter the COMP-LIST parameter

values
elemno
Parameter element number
value-list
List of parameter values. Enter one value for

each component in the cname-list of the
COMP-LIST sentence.
BCVAL
Used to enter the COMP-LIST binary

parameter values
elemno
Parameter element number
cname1
Component name or alias of the component

in the first row of the binary parameter
matrix
cname2
Component name or alias of the component

in the second row of the binary parameter
matrix
value-list
List of binary parameter values. Enter one

value for each component in the cname-list
of the COMP-LIST sentence.
Example: Using PROP-LIST to Enter Data for Water
Enter TC, PC, and vapor pressure parameters for water

(component H2O). PROP-LIST and PVAL are used, since there
are more parameters than components.
PROP-DATA
PROP-LIST
PVAL
H2O
1-12 Databanks
TC
1 / PC
1 / PLXANT 1
647.13 / 0.220550D8 /
73.6490
-7258.20 0.0
0.0
-7.3037
0.41653D-5
2.0
273.16
647.13
Example: Using COMP-LIST and CVAL
Add TC and vapor pressure parameters for H2O, C6H6, and

CH4O. COMP-LIST and CVAL are used, since there are more
components than parameters.
PROP-DATA
COMP-LIST
CVAL
TC
1
CVAL
PLXANT 1
0 1
0 1
2
3
4
5
6
7
8
9
H2O
C6H6
647.13
561.16
73.6490
78.050
-7258.20
-6275.50
0.0
0.0
0.0
0.0
-7.3037
-8.4443
0.41653D-5 -0.626D-5
2.0
2.0
273.16
278.68
647.13
561.16
CH4O
512.58 /
109.93 /
-7471.30 /
0.0 /
0.0 /
-13.988 /
0.15281D-1 /
1.0 /
175.47 /
512.58
Example: Using COMP-LIST and BCVAL
Add binary parameters for many components. With BCVAL,

DFMS expects all possible pairs to be defined. If the pair is not in
the databank, it must appear in the NEW-COMP paragraph. In this
example, six pairs must be defined (C1-C1, C1-C2, C1-C3, C2-C2,
C2-C3, and C3-C3). Defining C1-C2 also defines C2-C1.
NEW-COMP
(C1
(C1
(C1
(C2
(C2
(C3
PROP-DATA
COMP-LIST
BCVAL WILSON
C1)
C2)
C3)
C2)
C3)
C3)
1 0 2
2
2
(C1
(C1
(C1
(C2
(C2
(C3
C1)
C2)
C3)
C2)
C3)
C3)
/
/
/
/
/
C1
C1 0.0
C2 -393.58
C3 -764.31
C2
272.98
0.0
887.28
C3
-267.60 /
503.60 /
0.0
Example: Using PROP-LIST and BPVAL
Enter the UNIQUAC binary parameters for acetone and water. The
number of values entered in a BPVAL sentence is equal to twice
the number of elements of the binary parameter. In this example, 190.72 is the GMUQB value for the acetone-water interaction and
-56.19 is the value for the water-acetone interaction.
PROP-DATA
PROP-LIST
GMUQB
BPVAL
C3H6O
H2O
NO-ECHO
1
-190.72
-56.19
Use NO-ECHO to suppress the echo printing of the keyword input

in the report file.
Input Language
NO-ECHO
Databanks 1-13
PRINT-DIR and PRINTDATA
Use PRINT-DIR and PRINT-DATA to print the databanks

directories and parameter values, to verify that the databank was
created correctly.
Input Language
PRINT-DIR
password
PRINT-DATA
cname - list
pair - list
ALL
password
password
Password of the databank to be printed
ALL
Print all directories or data (Default)
cname-list
List of component names or aliases. Default

is ALL.
pair-list
List of pair names or aliases. Default is ALL

pairs
Example: Creating a User PP1 Databank
A user PP1 databank, USRPP1A, is created with password XYZ,

by copying data from the ASPENPCD. The components included
are: methane, water, benzene, and ethanol. The properties copied
are: MW, TC, PC, VC, CPIG, PLXANT, DHVLWT, and
RKTZRA. The databank directory and values of the parameters
stored in this databank are printed.
TITLE
CREATE A USER databank BY COPYING FROM THEASPENPCD
FILE
USRPP1A
WRFILE
COPY
XYZ
NEW
ASPENPCD
ASPENPCD
OLD
XYZ
ASPENPCD
PROPS=MW
PRINT-DIR
PRINT-DATA
COMPS=CH4
TC
PC
H2O
VC
C6H6
CPIG
C2H6O-2
PLXANT
DHVLWT
RKTZRA
XYZ
XYZ
END-INPUT
Example: Creating a User PP2 Databank
A user PP2 databank, USRPP2A, is created with the password

MYDATA. This databank stores both the pure component
parameters MW, DHVLWT, and the user binary parameter
USRBIN. The components included are: water, benzene, and
methanol. This example illustrates the use of NEW-PROP, NEWCOMP, and PROP-DATA. Both PROP-LIST and COMP-LIST
sentences are used for data entry.
1-14 Databanks
TITLE
USE PROP-DATA TO ENTER DATA FOR A USER PP2 databank
FILE
USRPP2A
MYDATA
NEW
WRFILE
MYDATA
NEW-PROP
MW
1 / DHVLWT
5 / USRBIN
1
NEW-COMP
WATER
H2O
/
BENZENE
C6H6
/
METHANOL
CH4O
/
(WATER WATER)
(H2O H2O)
/
(WATER BENZENE)
(H2O C6H6)
/
(WATER METHANOL)
(H2O CH4O)
/
(BENZENE BENZENE)
(C6H6 C6H6)
/
(BENZENE METHANOL)
(C6H6 CH4O)
/
(METHANOL METHANOL)
(CH4O CH4O)
PROP-DATA
COMP-LIST
H2O
C6H6
CH4O
CVAL
MW
1 0 1
18.015
78.114
32.042
PROP-LIST
DHVLWT
1
PVAL
H2O
0.406831D+08
373.20 0.310646
0.0
273.20
PVAL
C6H6
0.307814D+08
353.30 0.349117
0.0
278.70
PVAL
CH4O
0.352780D+08
337.80 0.371655
0.0
175.50
COMP-LIST
H2O
C6H6
CH4O
BCVAL USRBIN
1 0 1 H2O
0.0
200.
210. /
1 C6H6
-100.
0.0
310. /
1 CH4O
-120.
-130.
0.0
PRINT-DATA
MYDATA
END-INPUT
Databanks Available in the Aspen

Physical Property System
The topics listed below describe the pure component databanks
that are available in the Aspen Physical Property System. Each
topic includes a table of the parameters available in the databank.
AQUEOUS Databank
AQU92 Databank
ASPENPCD Databank
INORGANIC Databank
PURE11 Databank
PURE10 Databank
PURE856 Databank
PURE93 Databank
SOLIDS Databank
COMBUST Databank
ETHYLENE Databank
AQUEOUS Databank
Contains parameters for 900 ionic species. It is used for

electrolytes applications. The key parameters are the aqueous heat
and Gibbs free energy of formation at infinite dilution and aqueous
phase heat capacity at infinite dilution. See Aqueous Component
Databanks for the parameters and components available in the
databank.
Databanks 1-15
AQU92 Databank
Contains parameters for 900 ionic species. This is the AQUEOUS

databank for Aspen Plus Release 9.2. This databank has been
retained for upward compatibility. See Aqueous Component
Databanks for the parameters and components available in the
databank.
ASPENPCD Databank
Contains parameters for 472 organic and some inorganic

compounds. This databank has been superseded by the
PURECOMP databank as the main source of pure component
parameters. The ASPENPCD is retained for upward compatibility.
See Pure Component Databanks for the parameters and
components available in the PURE11 databank.
INORGANIC
Databank
Contains thermochemical data for about 2450 (mostly inorganic)

components. The key data are the enthalpy, entropy, Gibbs free
energy, and heat capacity correlation coefficients. For a given
component, there can be data for a number of solid phases, a liquid
phase, and the ideal gas phase. The same set of parameters are used
to calculate enthalpy, entropy, Gibbs free energy and heat capacity
for a given phase over a given temperature range.
In order to achieve adequate accuracy of fit over a wide
temperature range, multiple data ranges have been used for solid,
liquid, and ideal gas phases:
Number of Data Ranges
Properties
7
2
3
Solid (CPSXP1 to CPSXP7)

Liquid (CPLXP1 and CPLXP2)
Ideal gas (CPIXP1 and CPIXP3)
In the case of the solid phase, the multiple ranges can also refer to
different solid phases of different crystal structure, for the same
species.
If a component has more than one solid phase, each solid phase is
also defined as a separate component. For example, in addition to
the component FE, there are components FE-A, FE-B, FE-C, and
FE-D. Each component contains data for the different solid phases
of FE. For these components, the same liquid and ideal gas
parameters are used.
When modeling liquid metallurgical solutions, it is common to
choose liquid reference state components. However, liquid
solutions may have gaseous components as reference state
materials. For example, oxygen, hydrogen, nitrogen, and sulfur
dissolved in alloys and other phases would have ideal gas reference
states. Additionally, the reference state may be monatomic (for
example, 1/2 O2(g)) or polytomic (for example, S2(g)). The
INORGANIC databank contains a number of components
commonly used as reference state materials, such as 1/2 O2(g).
1-16 Databanks
The reference state for enthalpy, entropy and Gibbs free energy
used in the INORGANIC databank is the elements in their standard
phase at 25C and 1 atm. Standard enthalpy of formation at 25C is
used for enthalpy while standard Gibbs free energy of formation at
25C is used in Gibbs free energy. Since this reference state is also
used in ASPENPCD, PURECOMP, and other pure component
databanks, it is possible to mix data from this with those from the
other Aspen Physical Property System databanks. Note that this
reference state is different from that used in the Barin Data Book
(Barin, 1989) compilation where the enthalpy of formation and the
absolute entropy at 25C are used. Therefore, the Gibbs free
energy and entropy values computed using the INORGANIC
databank will be different from those tabulated in the Barin Data
Book.
The INORGANIC databank is used for solids, pyrometallurgical,
and electrolytes applications. See Inorganic Component Databank
for the parameters and components available in the databank.
PURE11 Databank
Contains parameters for over 1727 (mostly organic) components.

This is the main source of pure component parameters for the
Aspen Physical Property System. The databank is based on the
data developed by the AIChE DIPPR data compilation project,
parameters developed by AspenTech, parameters obtained from
the ASPENPCD databank, and other sources. For most
calculations, the PURE11 databank contains all the property
parameters you need. The parameters stored in the databank can be
categorized as:.
Universal constants, such as critical temperature, and critical
pressure
Temperature and property of transition, such as boiling point
and triple point
Reference state properties, such as enthalpy and Gibbs free
energy of formation
Coefficients for temperature-dependent thermodynamic
properties, such as liquid vapor pressure
Coefficients for temperature-dependent transport properties,
such as liquid viscosity
Safety properties, such as flash point and flammability limits
Functional group information for all UNIFAC models
Parameters for RKS and PR equations of state
Petroleum-related properties, such as API gravity, octane
numbers, aromatic content, hydrogen content, and sulfur
content
Databanks 1-17
Other model-specific parameters, such as the Rackett and

UNIQUAC parameters
The content of the main pure component databank is continually

updated, expanded, and improved. Therefore, from one release of
the Aspen Physical Property System to the next, certain parameter
values change. This change can cause differences in your
calculation results if you use the new, updated databank.
To facilitate upward compatibility (that is, allowing you to obtain
the same calculation results as in the previous release), the main
pure component databank is named according to the major release
of Aspen Plus or the Aspen Physical Property System. For
example, the pure component databank from Release 8.5-6 is
called PURE856 (see PURE856 databank). PURE93 and PURE10
are also available.
PURE10 Databank
Contains parameters for over 1727 (mostly organic) components. It

is the main pure component databank from Aspen Plus Version 10.
This databank has been retained for upward compatibility. See
PURE11 databank for detailed discussions.
PURE856 Databank
Contains parameters for 1,212 components. It is the main pure

component databank from Aspen Plus Release 8.5-6. This
databank has been retained for upward compatibility. See PURE11
databank for detailed discussions.
PURE93 Databank
Contains parameters for 1,550 components. It is the main pure

component databank from Aspen Plus Release 9.3. This databank
has been retained for upward compatibility. See PURE11 databank
for detailed discussions.
SOLIDS Databank
Contains parameters for 3314 solid components. This databank is

used for solids and electrolytes applications. This databank is
largely superceded by the INORGANIC databank, but is still
essential for electrolytes applications.
See Solids Component Databank for the parameters and
components available in the databank.
1-18 Databanks
COMBUST Databank
The COMBUST databank is a special databank for high

temperature, gas phase calculations. It contains parameters for 59
components typically found in combustion products, including free
radicals. The CPIG parameters were determined from data in
JANAF tables for temperatures up to 6000K (JANAF
Thermochemical Tables, Dow Chemical Company, Midland,
Michigan, 1979). Calculations using parameters in the ASPENPCD
and PURECOMP are generally not accurate above 1500K.
You may use the COMBUST databank only for ideal gas
calculations (IDEAL option set) and only in the following unit
operation models: MIXER, FSPLIT, SEP, SEP2, HEATER,
HEATX, MHEATX, RSTOIC, RYIELD, REQUIL, RGIBBS,
RCSTR, RPLUG, RBATCH, COMPR, MCOMPR, DUPL and
MULT. You must enter the option NPHASE=1 for each unit
operation block for which it is applicable, and for each STREAM.
See Combust Component Databank for the parameters and
ETHYLENE Databank
The new ETHYLENE databank contains pure component and

binary interaction parameters required to model the typical
ethylene process. The parameters are for the SRK property method
which include the critical temperature, critical pressure, acentric
factor and binary interaction parameters. The parameters are
available for 85 components commonly encountered in the
ethylene process. The ETHYLENE databank should be used with
the PURE11 databank and the SRK property method.
See Ethylene Component Databank for the parameters and
Binary Parameters for Activity

Coefficient Models
The Aspen Physical Property System offers a comprehensive
collection of built-in binary parameters for the following activity
coefficient models: WILSON, NRTL, and UNIQUAC. Separate
databanks are available for vapor-liquid and liquid-liquid
applications. The Aspen Physical Property System also contains a
large collection of Henrys law constants. These built-in parameters
are used automatically when the appropriate property methods are
used.
Binary Parameters for There are four databanks for vapor-liquid applications: VLE_IG,
Vapor-Liquid
VLE_RK, VLE_HOC, and VLE-LIT. Table 1.16 lists the
Applications
characteristics of these databanks.
Databanks 1-19
The databanks VLE_IG, VLE_RK, and VLE_HOC were

developed by AspenTech using binary vapor liquid equilibrium
data from the Dortmund databank. To the extent possible, only
thermodynamically consistent data are used. In addition to the
parameter values, the databanks contain the temperature, pressure,
and composition limits of the data and the quality of the fits, such
as average and maximum deviations.
The databank VLE_LIT contains binary parameters obtained from
the literature.
Built-in Binary Parameters for Vapor Liquid Systems
These
Are used with these property
databanks methods
VLE_IG
VLE_RK
Vapor phase model
WILSON,NRTL, UNIQUAC
Ideal gas
WILS-RK,NRTL-RK,
Redlich-Kwong
UNIQ-RK
VLE_HOC WILS-HOC,NRTL-HOC, UNIQ- Hayden-OConnell
HOC
VLE_LIT WILSON,NRTL, UNIQUAC
Ideal gas
Number of
component pairs
3600
3600
3600
1200
Binary Parameters for There are two databanks for liquid-liquid applications:
LLE_ASPEN and LLE_LIT.
Liquid-Liquid
Applications
The LLE_ASPEN databank contains binary parameters for the
NRTL and UNIQUAC models, and can be used with all NRTL and
UNIQUAC property methods. This databank was developed by
AspenTech using binary liquid-liquid equilibrium data from the
Dortmund databank. The binary parameters are valid over a very
wide temperature range. The systems in the databank include those
exhibiting upper critical solution temperature, lower critical
solution temperature, and closed loops.
The databank LLE_LIT contains binary parameters obtained from
the literature for the UNIQUAC model. These binary parameters
were determined from both binary and ternary liquid-liquid
equilibrium data. They are valid for the temperature range 20
30C.
For accurate representation of multicomponent liquid-liquid
systems, binary parameters should be obtained from regression of
binary and ternary LLE data in the operating range of the process.
Use the Data Regression System to regress the parameters (see the
Aspen Plus User Guide, Chapter 31 or the Aspen Properties User
Guide).
Henrys Law
Constants
1-20 Databanks
There are two databanks of Henry's law constants: HENRY and

BINARY. The HENRY databank is developed by AspenTech
using gas-liquid equilibrium data from the Dortmund databank. It
contains over 1600 sets of Henrys constants for a wide variety of

solutes in solvents. The solvents are not limited to water.
The BINARY databank contains Henrys constants obtained from
the literature. It has data for about 60 solutes in water.
Electrolytes Model Parameters

The Aspen Physical Property System contains built-in parameters
for the Pitzer and electrolyte NRTL models.
The Pitzer Parameter
Many binary Pitzer model parameters are available in the Aspen

Physical Property System. This databank contains parameters for
over 200 electrolyte pairs. All parameters were taken from the
Pitzer series of papers. Only cation-anion parameters, cation-cation
parameters, and anion-anion parameters are stored in the databank.
There are no parameters for cation1-cation2-anion interaction,
anion1-anion2-cation interaction, molecule-ion interaction, or
molecule-molecule interaction.
If you do not enter the Pitzer parameters on a
Properties.Parameters form, the Aspen Physical Property System
automatically retrieves from the databank the necessary parameters
for a specific ion-ion pair. If the parameters are unavailable, the
default value of zero is used. The Pitzer parameters are available
only on the Calculation Engine. They are not displayed on the
Properties Parameters forms.
The Electrolyte NRTL

Parameters
Electrolyte NRTL parameters are available in the Aspen Physical

Property System. This databank contains the nonrandomness factor
(GMELCN), and energy parameters (GMELCC, GMELCD,
GMELCE) for many molecule-electrolyte and electrolyteelectrolyte pairs. The databank also contains the binary parameters
(NRTL) for molecule-molecule interactions.
This databank is part of the electrolyte expert system and is
searched automatically when the ELECNRTL property method is
used. Parameters for a given pair are not retrieved if you enter the
parameters on the Properties.Parameters form. You can access the
electrolyte expert system using the Electrolyte Wizard button on
the Components Specifications Selection sheet.
See Electrolytes Data for detailed information on the electrolytes
systems used to develop the parameter databank, the solution
chemistry used, the source of data, and the application ranges.
Barin, I. (1989). Thermochemical Data of Pure Substances. VCH
Verlagsgesellschaft, FRG.
Databanks 1-21
Pure Component Databanks

The tables below list the components present in the pure
component databanks PURE11, PURE10, PURE93, PURE856,
and ASPENPCD.
Components beginning with:
Pure Component
Databank Parameters
C1
C2
C3
C4
C5
C6
C7
C8
C9
C10
C11
C12
C13
C14
C15
C16
C17
C18
C19
C20
C21+ Al
Ca
Cl
Fe
Na
Si
Other elements
Available in Databank
Parameter
Name
Description
AIT
ANILPT
API
AROMATIC
Auto ignition temperature

X
Aniline point
X
Standard API gravity at 60F
X
Aromatic content (1=aromatic, 0=non- X
aromatic)
Vector containing the atom types
X
(atomic numbers) for a given molecule
(e.g., H=1, C=6, O=8). Must use the
vector NOATOM to define the number
of occurrences of each atom.
Dielectric constant
X
Ideal gas heat capacity coefficients
DIPPR ideal gas heat capacity
X
coefficients
DIPPR liquid heat capacity coefficients X
DIPPR solid heat capacity coefficients X
Difference between liquid and solid heat X
capacity at the Triple point
Solubility parameter at 298.2 K
X
Standard Gibbs free energy of
X
formation; ideal gas at 298.2 K
Standard heat of formation; ideal gas at X
298.2 K
Cavett enthalpy departure parameter
Heat of vaporization at TB
X
DIPPR heat of vaporization coefficients X
ATOMNO
CPDIEC
CPIG
CPIGDP
CPLDIP
CPSDIP
DCPLS
DELTA
DGFORM
DHFORM
DHLCVT
DHVLB
DHVLDP
1-22 Databanks
Heating Fluids
P11 P10 P93 P856PCD
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Parameter
Name
DHVLWT
DNLDIP
DNSDIP
ENT
Description
P11 P10 P93 P856PCD
Watson heat of vaporization parameters

DIPPR liquid density coefficients
DIPPR solid density coefficients
Absolute entropy of formation at 298.2
K
FLML
Lower flammability limit
FLMU
Upper flammability limit
FP
Flash point
FREEZEPT
Normal freezing point (see also TFP)
GMUQQ
UNIQUAC area parameter
GMUQR
UNIQUAC volume parameter
HCOM
Standard enthalpy of combustion at
298.2 K
HFUS
Enthalpy of fusion at melting point
HYDROGEN Hydrogen content (weight fraction)
KLDIP
DIPPR liquid thermal conductivity
coefficients
KVDIP
DIPPR vapor thermal conductivity
coefficients
MOCTNO
Motor octane number
MULAND
Andrade liquid viscosity coefficients
MULDIP
DIPPR liquid viscosity coefficients
MUP
Dipole moment
MUVDIP
DIPPR vapor viscosity coefficients
MW
Molecular weight
NAPHTHEN Naphthene content (1=naphthenic,
0=non-naphthenic)
NATOM
Vector containing numbers of C, H, O,
N, S, F, Cl, Br, I, Ar, and He atoms
NOATOM
Vector containing the number of
occurrences of each atom defined in
ATOMNO for a given molecule.
ATOMNO and NOATOM define the
chemical formula of the molecule.
NTHA
Nothnagel parameters
OLEFIN
Olefin content (1=olefin, 0=non-olefin)
OMEGA
Pitzer acentric factor
OMGCTD
Acentric factor for the COSTALD
model
OXYGEN
Oxygen content (weight fraction)
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-23
X
X
Parameter
Name
Description
P11 P10 P93 P856PCD
PARAFFIN
Paraffin content (1=paraffin, 0=nonparaffin)

Critical pressure
Cavett vapor pressure coefficients
Extended Antoine vapor pressure
coefficients
Mathias-Copeman parameters for PR
equation of state
Schwartzentruber-Renon parameters for
PR equation of state
Radius of gyration
Refractive index at 298.2 K
Mathias-Copeman parameters for RKS
equation of state
Schwartzentruber-Renon parameters for
RKS equation of state
Rackett liquid density parameter
Research octane number
Standard specific gravity at 60F
DIPPR surface tension coefficients
Sulfur content (weight fraction)
Second virial coefficient
Normal boiling point
Critical temperature
Normal freezing point (see also
FREEZEPT)
Total nitrogen content (weight fraction)
Triple point pressure
Triple point temperature
Functional group information for the
UNIFAC model
Dortmund modified UNIFAC model
Lyngby modified UNIFAC model
Liquid molar volume at TB
Critical volume
Scatchard-Hildebrand characteristic
volume parameter
Standard liquid volume at 60F
PC
PLCAVT
PLXANT
PRMCP
PRSRP
RGYR
RI
RKSMCP
RKSSRP
RKTZRA
ROCTNO
SG
SIGDIP
SULFUR
SVRDIP
TB
TC
TFP
TOTAL-N2
TPP
TPT
UFGRP
UFGRPD
UFGRPL
VB
VC
VLCVT1
VLSTD
1-24 Databanks
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Parameter
Name
Description
VSTCTD
Characteristic volume for the

X
COSTALD model
Water solubility correlation coefficients X
Critical compressibility factor
X
WATSOL
ZC
P11 P10 P93 P856PCD
X
X
X
X
X
X
These parameters are not used in Aspen Plus models but can be
accessed by user or in-house models: AIT, ENT, FLML, FLMU,
SVRDIP, TPP
Vectors ATOMNO and NOATOM together form the chemical
formula of the compound. They are used to compute molecular
weight and are used in RGIBBS.
UFGRP, UFGRPD, UFGRPL contain functional group number
and number of occurrences of each group.
P11 = PURE11 Databank
PCD = ASPENPCD Databank
Pure Component
Databanks: Al
Pure Component
Databanks: B
Alias
Name
P11 P10 P93 P856PCD
AL
AL(OH)3
AL2(SO4)3
AL2O3
ALCL3
ALPO4-O
ALUMINIUM
ALUMINIUM-HYDROXIDE
ALUMINIUM-SULFATE
ALUMINIUM-OXIDE-ALPHA-CORUNDUM
ALUMINIUM-CHLORIDE
ALUMINIUM-PHOSPHATE-ORTHO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
B2H6
B4H20NA2O17
BCL3
BF3
DIBORANE
BORAX
BORON-TRICHLORIDE
BORON-TRIFLUORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-25
X
X
Pure Component
Databanks: C1
1-26 Databanks
Alias
Name
P11 P10 P93 P856PCD
C
CBR2F2
CBRCL3
CBRCLF2
CBRF3
CCL2F2
CCL2O
CCL3F
CCL4
CCLF3
CCLN
CF4
CH2BR2
CH2BRCL
CH2CL2
CH2CLF
CH2F2
CH2I2
CH2O
CH2O2
CH3BR
CH3CL
CH3F
CH3I
CH3NO
CH3NO2
CH3SICL3
CH4
CH4N2O
CH4N2S
CH4O
CH4O3S
CH4S
CH4SICL2
CH5N
CH5SICL
CH6N2
CH6SI
CHBR3
CHBRF2
CHCL2F
CHCL3
CHCLF2
CHF3
CHN
CARBON-GRAPHITE
DIBROMODIFLUOROMETHANE
BROMOTRICHLOROMETHANE
BROMOCHLORODIFLUOROMETHANE
TRIFLUOROBROMOMETHANE
DICHLORODIFLUOROMETHANE
PHOSGENE
TRICHLOROFLUOROMETHANE
CARBON-TETRACHLORIDE
CHLOROTRIFLUOROMETHANE
CYANOGEN-CHLORIDE
CARBON-TETRAFLUORIDE
DIBROMOMETHANE
BROMOCHLOROMETHANE
DICHLOROMETHANE
CHLOROFLUOROMETHANE
DIFLUOROMETHANE
DIIODOMETHANE
FORMALDEHYDE
FORMIC-ACID
METHYL-BROMIDE
METHYL-CHLORIDE
METHYL-FLUORIDE
METHYL-IODIDE
FORMAMIDE
NITROMETHANE
METHYL-TRICHLOROSILANE
METHANE
UREA
THIOUREA
METHANOL
METHANESULFONIC-ACID
METHYL-MERCAPTAN
METHYL-DICHLOROSILANE
METHYL-AMINE
METHYL-CHLOROSILANE
METHYL-HYDRAZINE
METHYL-SILANE
TRIBROMOMETHANE
BROMODIFLUOROMETHANE
DICHLOROMONOFLUOROMETHANE
CHLOROFORM
CHLORODIFLUOROMETHANE
TRIFLUOROMETHANE
HYDROGEN-CYANIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C2
Alias
Name
P11 P10 P93 P856PCD
CN4O8
CO
CO2
COF2
COS
CS2
TETRANITROMETHANE
CARBON-MONOXIDE
CARBON-DIOXIDE
CARBONYL-FLUORIDE
CARBONYL-SULFIDE
CARBON-DISULFIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C2BR2F4
C2BRF3
C2CL2F4-1
C2CL2F4-2
C2CL3F3
C2CL3F3-D1
C2CL4
C2CL4F2
C2CL4F2-D1
C2CL4O
C2CL5F
C2CL6
C2CLF3
C2CLF5
C2F4
C2F6
C2H2
C2H2BR4
C2H2CL2-D1
C2H2CL2-D2
C2H2CL2-D3
C2H2CL2O
C2H2CL2O-D1
C2H2CL2O2
C2H2CL3F
C2H2CL4-D1
C2H2CL4-D2
C2H2CLF3
C2H2F2
C2H2F4
C2H2F4-D1
C2H2F4O
C2H2O
C2H2O2
C2H2O4
C2H3BR
1,2-DIBROMOTETRAFLUOROETHANE
BROMOTRIFLUOROETHYLENE
1,1-DICHLORO-1,2,2,2-TETRAFLUORO
1,2-DICHLORO-1,1,2,2-TETRAFLUORO
1,2,2-TRICHLORO-1,1,2-TRIFLUOROE
1,1,1-TRICHLOROTRIFLUOROETHANE
TETRACHLOROETHYLENE
1,1,2,2-TETRACHLORO-1,2-DIFLUORO
1,1,1,2-TETRACHLORODIFLUOROETHAN
TRICHLOROACETYL-CHLORIDE
PENTACHLOROFLUOROETHANE
HEXACHLOROETHANE
CHLOROTRIFLUOROETHYLENE
CHLOROPENTAFLUOROETHANE
PERFLUOROETHENE
PERFLUOROETHANE
ACETYLENE
1,1,2,2-TETRABROMOETHANE
1,1-DICHLOROETHYLENE
CIS-1,2-DICHLOROETHYLENE
TRANS-1,2-DICHLOROETHYLENE
CHLOROACETYL-CHLORIDE
DICHLOROACETALDEHYDE
DICHLOROACETIC-ACID
1,1,1-TRICHLOROFLUOROETHANE
1,1,1,2-TETRACHLOROETHANE
1,1,2,2-TETRACHLOROETHANE
2-CHLORO-1,1,1-TRIFLUOROETHANE
1,1-DIFLUOROETHYLENE
1,1,1,2-TETRAFLUOROETHANE
1,1,2,2-TETRAFLUOROETHANE
BIS-DIFLUOROMETHYL-ETHER
KETENE
GLYOXAL
OXALIC-ACID
VINYL-BROMIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-27
X
X
X
X
X
X
X
X
X
1-28 Databanks
Alias
Name
P11 P10 P93 P856PCD
C2H3CL
C2H3CL2F
C2H3CL3
C2H3CL3-D0
C2H3CLF2
C2H3CLO
C2H3CLO-D0
C2H3CLO2
C2H3CLO2-D1
C2H3F
C2H3F3
C2H3F3-D1
C2H3N
C2H3NAO2
C2H3NO
C2H3NO-E1
C2H3O2LI
C2H3SICL3
C2H4
C2H4BR2
C2H4BR2-D1
C2H4CL2-1
C2H4CL2-2
C2H4CL2O
C2H4F2
C2H4F2-D1
C2H4N2
C2H4N2O6
C2H4N4
C2H4O-1
C2H4O-2
C2H4O2-1
C2H4O2-2
C2H4O2S
C2H4O3-D1
C2H4O3-D2
C2H4S
C2H5BR
C2H5CL
C2H5CLO
C2H5CLO-D1
C2H5F
C2H5I
C2H5N
C2H5NO-D1
VINYL-CHLORIDE
1,1-DICHLORO-1-FLUOROETHANE
1,1,2-TRICHLOROETHANE
1,1,1-TRICHLOROETHANE
1-CHLORO-1,1-DIFLUOROETHANE
ACETYL-CHLORIDE
CHLOROACETALDEHYDE
CHLOROACETIC-ACID
METHYL-CHLOROFORMATE
VINYL-FLUORIDE
1,1,1-TRIFLUOROETHANE
1,1,2-TRIFLUOROETHANE
ACETONITRILE
SODIUM-ACETATE
METHYL-ISOCYANATE
HYDROXYACETONITRILE
LITHIUM-ACETATE
VINYLTRICHLOROSILANE
ETHYLENE
1,2-DIBROMOETHANE
1,1-DIBROMOETHANE
1,1-DICHLOROETHANE
1,2-DICHLOROETHANE
BIS-CHLOROMETHYL-ETHER
1,1-DIFLUOROETHANE
1,2-DIFLUOROETHANE
AMINOACETONITRILE
ETHYLENE-GLYCOL-DINITRATE
DICYANDIAMIDE
ACETALDEHYDE
ETHYLENE-OXIDE
ACETIC-ACID
METHYL-FORMATE
THIOGLYCOLIC-ACID
GLYCOLIC-ACID
PERACETIC-ACID
THIACYCLOPROPANE
ETHYL-BROMIDE
ETHYL-CHLORIDE
2-CHLOROETHANOL
CHLOROMETHYL-METHYL-ETHER
ETHYL-FLUORIDE
ETHYL-IODIDE
ETHYLENE-IMINE
ACETAMIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C2H5NO-D2
C2H5NO-D3
C2H5NO2
C2H5NO2-D1
C2H6
C2H6ALCL
C2H6O-1
C2H6O-2
C2H6O2
C2H6O4S
C2H6OS
C2H6OS-D1
C2H6S-1
C2H6S-2
C2H6S2
C2H6S2-D1
C2H6SICL2
C2H7N-1
C2H7N-2
C2H7NO
C2H7NO2
C2H7SICL
C2H8N2
C2H8N2O4
C2H8P2O6
C2H8SI
C2HBRCLF3
C2HCL2F3-D1
C2HCL2F3-D2
C2HCL2F3-D3
C2HCL3
C2HCL3O
C2HCL3O-D1
C2HCL3O2
C2HCL5
C2HCLF2
C2HCLF4
C2HF3O2
C2HF5
C2N2
N-METHYLFORMAMIDE
ACETALDOXIME
NITROETHANE
GLYCINE
ETHANE
DIMETHYLALUMINUM-CHLORIDE
DIMETHYL-ETHER
ETHANOL
ETHYLENE-GLYCOL
DIMETHYL-SULFATE
DIMETHYL-SULFOXIDE
2-MERCAPTOETHANOL
ETHYL-MERCAPTAN
DIMETHYL-SULFIDE
DIMETHYL-DISULFIDE
1,2-ETHANEDITHIOL
DIMETHYLDICHLOROSILANE
ETHYL-AMINE
DIMETHYLAMINE
MONOETHANOLAMINE
AMMONIUM-ACETATE
DIMETHYLCHLOROSILANE
ETHYLENEDIAMINE
AMMONIUM-OXALATE
1,2-ETHANE-DIPHOSPHONIC-ACID
DIMETHYL-SILANE
HALOTHANE
1,1-DICHLORO-2,2,2-TRIFLUOROETHA
TRICHLOROETHYLENE
DICHLOROACETYL-CHLORIDE
TRICHLOROACETALDEHYDE
TRICHLOROACETIC-ACID
PENTACHLOROETHANE
2-CHLORO-1,1-DIFLUOROETHYLENE
2-CHLORO-1,1,1,2-TETRAFLUOROETHA
TRIFLUOROACETIC-ACID
PENTAFLUOROETHANE
CYANOGEN
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-29
Pure Component
Databanks: C3
1-30 Databanks
Alias
Name
P11 P10 P93 P856PCD
C3CL2F6
C3F6
C3F6O
C3F8
C3H10N2
C3H10N2-D1
C3H10SI
C3H10SIO3
C3H2F6
C3H2N2
C3H3CL
C3H3F3
C3H3F5
C3H3F5O
C3H3N
C3H3NO
C3H4-1
C3H4-2
C3H4CL2
C3H4N2
C3H4O
C3H4O-D0
C3H4O2-1
C3H4O2-2
C3H4O2-D0
C3H4O3
C3H4O3-D1
C3H4O4
C3H5CL
C3H5CL-D0
C3H5CL3
C3H5CLO
C3H5CLO2
C3H5CLO2-D1
C3H5N
C3H5N3O9
C3H5NO
C3H5NO-D1
C3H5NO-D2
C3H6-1
C3H6-2
C3H6CL2
C3H6CL2-D1
C3H6CL2-D2
C3H6CL2O-D1
1,3-DICHLOROHEXAFLUOROPROPANE
HEXAFLUOROPROPYLENE
HEXAFLUOROACETONE
OCTAFLUOROPROPANE
1,2-PROPANEDIAMINE
1,3-PROPANEDIAMINE
TRIMETHYL-SILANE
TRIMETHOXYSILANE
1,1,1,2,3,3-HEXAFLUOROPROPANE
MALONONITRILE
PROPARGYL-CHLORIDE
3,3,3-TRIFLUOROPROPENE
1,1,1,2,2-PENTAFLUOROPROPANE
2-DIFLUOROMETHOXY-1,1,1-TRIFLURO
ACRYLONITRILE
OXAZOLE
PROPADIENE
METHYL-ACETYLENE
2,3-DICHLOROPROPENE
PYRAZOLE
ACROLEIN
PROPARGYL-ALCOHOL
ACRYLIC-ACID
VINYL-FORMATE
BETA-PROPIOLACTONE
ETHYLENE-CARBONATE
PYRUVIC-ACID
MALONIC-ACID
ALLYL-CHLORIDE
2-CHLOROPROPENE
1,2,3-TRICHLOROPROPANE
ALPHA-EPICHLOROHYDRIN
METHYL-CHLOROACETATE
ETHYL-CHLOROFORMATE
PROPIONITRILE
NITROGLYCERINE
LACTONITRILE
ACRYLAMIDE
HYDRACRYLONITRILE
CYCLOPROPANE
PROPYLENE
1,2-DICHLOROPROPANE
1,1-DICHLOROPROPANE
1,3-DICHLOROPROPANE
1,3-DICHLORO-2-PROPANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C3H6CL2O-D2
C3H6N6
C3H6O-1
C3H6O-2
C3H6O-3
C3H6O-4
C3H6O-5
C3H6O-D0
C3H6O2-1
C3H6O2-2
C3H6O2-3
C3H6O2-D1
C3H6O2-D2
C3H6O2S
C3H6O3
C3H6O3-D1
C3H6O3-D2
C3H6O3-D3
C3H6S
C3H6SICL2
C3H7BR-D1
C3H7BR-D2
C3H7CL-1
C3H7CL-2
C3H7CLO2
C3H7I-D1
C3H7I-D2
C3H7N
C3H7N-D1
C3H7NO
C3H7NO-D1
C3H7NO2-D1
C3H7NO2-D2
C3H8
C3H8O-1
C3H8O-2
C3H8O-3
C3H8O2
C3H8O2-1
C3H8O2-2
C3H8O2-3
C3H8O3
C3H8S
C3H8S-D1
C3H8S-E1
2,3-DICHLORO-1-PROPANOL
MELAMINE
ACETONE
ALLYL-ALCOHOL
N-PROPIONALDEHYDE
PROPYLENE-OXIDE
VINYL-METHYL-ETHER
1,3-PROPYLENE-OXIDE
PROPIONIC-ACID
ETHYL-FORMATE
METHYL-ACETATE
ACETOL
2,3-EPOXY-1-PROPANOL
3-MERCAPTOPROPIONIC-ACID
METHOXYACETIC-ACID
LACTIC-ACID
TRIOXANE
DIMETHYL-CARBONATE
TRIMETHYLENE-SULFIDE
METHYL-VINYL-DICHLOROSILANE
1-BROMOPROPANE
2-BROMOPROPANE
PROPYL-CHLORIDE
ISOPROPYL-CHLORIDE
3-CHLORO-1,2-PROPANEDIOL
ISOPROPYL-IODIDE
N-PROPYL-IODIDE
ALLYLAMINE
PROPYLENEIMINE
N,N-DIMETHYLFORMAMIDE
N-METHYLACETAMIDE
1-NITROPROPANE
2-NITROPROPANE
PROPANE
1-PROPANOL
ISOPROPYL-ALCOHOL
METHYL-ETHYL-ETHER
2-METHOXYETHANOL
METHYLAL
PROPANEDIOL-1,2
1,3-PROPANEDIOL
GLYCEROL
METHYL-ETHYL-SULFIDE
ISOPROPYL-MERCAPTAN
N-PROPYLMERCAPTAN
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-31
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C4
Alias
Name
P11 P10 P93 P856PCD
C3H9AL
C3H9GA
C3H9N-1
C3H9N-2
C3H9N-3
C3H9NO
C3H9NO-D1
C3H9NO-D2
C3H9NO2
C3H9O4P
C3H9SICL
C3HF7
TRIMETHYLALUMINUM
TRIMETHYLGALLIUM
N-PROPYL-AMINE
ISOPROPYL-AMINE
TRIMETHYL-AMINE
METHYL-ETHANOLAMINE
1-AMINO-2-PROPANOL
3-AMINO-1-PROPANOL
AMMONIUM-PROPIONATE
TRIMETHYL-PHOSPHATE
TRIMETHYLCHLOROSILANE
1,1,1,2,3,3,3-HEPTAFLUOROPROPANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C4CL2F6
1,2DICHLOROHEXAFLUOROCYCLOBUTAN
TETRACHLOROTHIOPHENE
HEXACHLORO-1,3-BUTADIENE
DECAFLUOROBUTANE
OCTAFLUORO-2-BUTENE
OCTAFLUOROCYCLOBUTANE
N-BUTANE
ISOBUTANE
PIPERAZINE
N-BUTANOL
2-BUTANOL
ISOBUTANOL
TERT-BUTYL-ALCOHOL
DIETHYL-ETHER
METHYL-ISOPROPYL-ETHER
METHYL-N-PROPYL-ETHER
1,2-DIMETHOXYETHANE
1,3-BUTANEDIOL
N-BUTYLHYDROPEROXIDE
1,4-BUTANEDIOL
T-BUTYL-HYDROPEROXIDE
2-ETHOXYETHANOL
2,3-BUTANEDIOL
1,2-BUTANEDIOL
PG-MONOMETHYL-ETHER
2-METHYL-1,3-PROPANEDIOL
2-METHOXY-PROPANOL-1
THIODIGLYCOL
DIETHYLENE-GLYCOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
C4CL4S
C4CL6
C4F10
C4F8-D1
C4F8-D2
C4H10-1
C4H10-2
C4H10N2
C4H10O-1
C4H10O-2
C4H10O-3
C4H10O-4
C4H10O-5
C4H10O-D1
C4H10O-D2
C4H10O2
C4H10O2-D1
C4H10O2-D10
C4H10O2-D2
C4H10O2-D3
C4H10O2-D4
C4H10O2-D5
C4H10O2-D6
C4H10O2-D7
C4H10O2-D8
C4H10O2-D9
C4H10O2S
C4H10O3
1-32 Databanks
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C4H10O4S
C4H10OS
C4H10OS2
C4H10S
C4H10S-D1
C4H10S-D2
C4H10S-D3
C4H10S-E1
C4H10S-E2
C4H10S2
C4H10SO3
C4H11N-1
C4H11N-2
C4H11N-3
C4H11N-D1
C4H11N-D2
C4H11NO
C4H11NO-D1
C4H11NO-D2
C4H11NO2-1
C4H11NO2-2
C4H12N2O
C4H12SI
C4H12SIO2
C4H13N3
C4H2N2-D1
C4H2N2-D2
C4H2O3
C4H4
C4H4N2
C4H4N2-D1
C4H4N2-D2
C4H4N2-D3
C4H4O
C4H4O2
C4H4O3
C4H4O4-D1
C4H4O4-D2
C4H4S
C4H5CL
C4H5N
C4H5N-1
C4H5N-2
C4H5N-E1
C4H5N-E3
DIETHYL-SULFATE
ETHYLTHIOETHANOL
DIMERCAPTOETHYL-ETHER
DIETHYL-SULFIDE
N-BUTYL-MERCAPTAN
TERT-BUTYL-MERCAPTAN
METHYL-N-PROPYL-SULFIDE
SEC-BUTYL-MERCAPTAN
ISOBUTYL-MERCAPTAN
DIETHYL-DISULFIDE
DIETHYLSULFITE
N-BUTYL-AMINE
ISOBUTYL-AMINE
DIETHYL-AMINE
SEC-BUTYLAMINE
TERT-BUTYLAMINE
DIMETHYLETHANOLAMINE
3-METHOXYISOPROPYLAMINE
N,N-DIETHYLHYDROXYLAMINE
DIETHANOLAMINE
DIGLYCOLAMINE
N-AMINOETHYL-ETHANOLAMINE
TETRAMETHYLSILANE
DIMETHYLDIMETHOXYSILANE
DIETHYLENE-TRIAMINE
FUMARONITRILE
MALEONITRILE
MALEIC-ANHYDRIDE
VINYLACETYLENE
SUCCINONITRILE
PYRAZINE
PYRIDAZINE
PYRIMIDINE
FURAN
DIKETENE
SUCCINIC-ANHYDRIDE
FUMARIC-ACID
MALEIC-ACID
THIOPHENE
CHLOROPRENE
METHACRYLONITRILE
ALLYL-CYANIDE
PYRROLE
TRANS-CROTONITRILE
CIS-CROTONITRILE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-33
X
X
1-34 Databanks
Alias
Name
P11 P10 P93 P856PCD
C4H5N3
C4H5NO
C4H5NO2
C4H6-1
C4H6-2
C4H6-3
C4H6-4
C4H6CL2
C4H6CL2-E1
C4H6CL2-E2
C4H6CL2-E3
C4H6O
C4H6O-D1
C4H6O-D2
C4H6O-D3
C4H6O-D4
C4H6O2-1
C4H6O2-2
C4H6O2-D1
C4H6O2-D2
C4H6O2-D3
C4H6O2-D4
C4H6O2-D5
C4H6O2S
C4H6O3
C4H6O3-D1
C4H6O4-1
C4H6O4-2
C4H6O5
C4H6O5-D1
C4H6O6
C4H7CLO2
C4H7N
C4H7N-D0
C4H7NO-D1
C4H7NO-D2
C4H7NO-E1
C4H7NO-E2
C4H8-1
C4H8-2
C4H8-3
C4H8-4
C4H8-5
C4H8CL2
C4H8CL2-D1
2,2-IMINOBIS-ACETONITRILE
ACROLEIN-CYANOHYDRIN
METHYL-CYANOACETATE
1-BUTYNE
2-BUTYNE
1,2-BUTADIENE
1,3-BUTADIENE
1,4-DICHLORO-TRANS-2-BUTENE
1,3-DICHLORO-TRANS-2-BUTENE
3,4-DICHLORO-1-BUTENE
1,4-DICHLORO-CIS-2-BUTENE
2,5-DIHYDROFURAN
TRANS-CROTONALDEHYDE
DIVINYL-ETHER
METHACROLEIN
2,3-DIHYDROFURAN
VINYL-ACETATE
METHYL-ACRYLATE
2-BUTYNE-1,4-DIOL
GAMMA-BUTYROLACTONE
CIS-CROTONIC-ACID
TRANS-CROTONIC-ACID
METHACRYLIC-ACID
SULFOLENE
ACETIC-ANHYDRIDE
PROPYLENE-CARBONATE
DIMETHYL-OXALATE
SUCCINIC-ACID
DIGLYCOLIC-ACID
MALIC-ACID
TARTARIC-ACID
ETHYLCHLOROACETATE
BUTYRONITRILE
ISOBUTYRONITRILE
ACETONE-CYANOHYDRIN
2-PYRROLIDONE
2-METHACRYLAMIDE
3-METHOXYPROPIONITRILE
1-BUTENE
CIS-2-BUTENE
TRANS-2-BUTENE
CYCLOBUTANE
ISOBUTYLENE
1,4-DICHLOROBUTANE
1,2-DICHLOROBUTANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C5
Alias
Name
P11 P10 P93 P856PCD
C4H8CL2-D2
C4H8CL2O
C4H8O
C4H8O-1
C4H8O-2
C4H8O-3
C4H8O-4
C4H8O-5
C4H8O-D1
C4H8O2-1
C4H8O2-2
C4H8O2-3
C4H8O2-4
C4H8O2-5
C4H8O2-6
C4H8O2-D1
C4H8O2-D2
C4H8O2-D3
C4H8O2-D4
C4H8O2-D5
C4H8O2-D6
C4H8O2S
C4H8O3
C4H8O3-D1
C4H8OS
C4H8S
C4H9BR-D1
C4H9BR-D2
C4H9CL-1
C4H9CL-2
C4H9CL-3
C4H9CL-D1
C4H9I
C4H9N
C4H9NO
C4H9NO-D0
C4H9NO2
2,3-DICHLOROBUTANE
X
DICHLOROETHYL-ETHER
X
1,2-EPOXYBUTANE
X
N-BUTYRALDEHYDE
X
ISOBUTYRALDEHYDE
X
METHYL-ETHYL-KETONE
X
TETRAHYDROFURAN
X
VINYL-ETHYL-ETHER
X
1,2-EPOXY-2-METHYLPROPANE
X
N-BUTYRIC-ACID
X
1,4-DIOXANE
X
ETHYL-ACETATE
X
ISOBUTYRIC-ACID
X
METHYL-PROPIONATE
X
N-PROPYL-FORMATE
X
ACETALDOL
X
CIS-2-BUTENE-1,4-DIOL
X
TRANS-2-BUTENE-1,4-DIOL
X
1,3-DIOXANE
X
3-HYDROXY-2-METHYL-PROPIONALDEHY X
4-HYDROXYBUTYRALDEHYDE
X
SULFOLANE
X
METHYL-LACTATE
X
ALPHA-HYDROXYISOBUTYRIC-ACID
X
3-METHYLMERCAPTO-PROPANAL
X
TETRAHYDROTHIOPHENE
X
1-BROMOBUTANE
X
2-BROMOBUTANE
X
1-CHLOROBUTANE
X
2-CHLOROBUTANE
X
TERT-BUTYL-CHLORIDE
X
ISOBUTYL-CHLORIDE
X
N-BUTYL-IODIDE
X
PYRROLIDINE
X
MORPHOLINE
X
N,N-DIMETHYLACETAMIDE
X
1-NITROBUTANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C5CL6
C5H10-1
C5H10-2
C5H10-3
C5H10-4
HEXACHLOROCYCLOPENTADIENE
CYCLOPENTANE
1-PENTENE
CIS-2-PENTENE
TRANS-2-PENTENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-35
X
X
X
X
1-36 Databanks
Alias
Name
P11 P10 P93 P856PCD
C5H10-5
C5H10-6
C5H10-7
C5H10CL2
C5H10NNAS2
C5H10O-1
C5H10O-2
C5H10O-3
C5H10O-4
C5H10O2
C5H10O2-1
C5H10O2-2
C5H10O2-3
C5H10O2-4
C5H10O2-5
C5H10O2-6
C5H10O2-D1
C5H10O2-D2
C5H10O2-D3
C5H10O2-D4
C5H10O2-D5
C5H10O2-D6
C5H10O2-D7
C5H10O2S
C5H10O3-D1
C5H10O3-D2
C5H11CL
C5H11N
C5H11N-D0
C5H11N-D1
C5H11NO
C5H12-1
C5H12-2
C5H12-3
C5H12O
C5H12O-1
C5H12O-2
C5H12O-3
C5H12O-4
C5H12O-5
C5H12O-6
C5H12O-D1
C5H12O-D2
C5H12O-D3
C5H12O-D4
2-METHYL-1-BUTENE
2-METHYL-2-BUTENE
3-METHYL-1-BUTENE
1,5-DICHLOROPENTANE
SODIUM-DIETHYLDITHIOCARBAMATE
VALERALDEHYDE
METHYL-N-PROPYL-KETONE
METHYL-ISOPROPYL-KETONE
DIETHYL-KETONE
NEOPENTANOIC-ACID
N-VALERIC-ACID
ISOBUTYL-FORMATE
N-PROPYL-ACETATE
ETHYL-PROPIONATE
METHYL-BUTYRATE
METHYL-ISOBUTYRATE
N-BUTYL-FORMATE
ISOPROPYL-ACETATE
ISOVALERIC-ACID
2-METHYLBUTYRIC-ACID
TETRAHYDROFURFURYL-ALCOHOL
SEC-BUTYL-FORMATE
TERT-BUTYL-FORMATE
3-METHYL-SULFOLANE
DIETHYL-CARBONATE
ETHYL-LACTATE
1-CHLOROPENTANE
PIPERIDINE
N-METHYLPYRROLIDINE
CYCLOPENTYLAMINE
TERT-BUTYLFORMAMIDE
N-PENTANE
2-METHYL-BUTANE
2,2-DIMETHYL-PROPANE
METHYL-SEC-BUTYL-ETHER
1-PENTANOL
2-METHYL-1-BUTANOL
3-METHYL-1-BUTANOL
2-METHYL-2-BUTANOL
2,2-DIMETHYL-1-PROPANOL
ETHYL-PROPYL-ETHER
3-METHYL-2-BUTANOL
METHYL-TERT-BUTYL-ETHER
2-PENTANOL
3-PENTANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C5H12O-D5
C5H12O-E1
C5H12O-E2
C5H12O2-D1
C5H12O2-D2
C5H12O2-D3
ETHYL-ISOPROPYL-ETHER
METHYL-ISOBUTYL-ETHER
METHYL-N-BUTYL-ETHER
NEOPENTYL-GLYCOL
1,5-PENTANEDIOL
ETHYLENE-GLYCOL-MONOPROPYLETHER
ETHYLAL
2,4-PENTANEDIOL
2-2-METHOXYETHOXY-ETHANOL
PENTAERYTHRITOL
1-PENTANETHIOL
METHYL-T-BUTYL-SULFIDE
METHYL-N-BUTYL-SULFIDE
N-PENTYLAMINE
METHYL-DIETHANOLAMINE
FURFURAL
METHYL-MALEIC-ANHYDRIDE
PYRIDINE
CYCLOPENTADIENE
2-METHYL-1-BUTENE-3-YNE
1-PENTENE-3-YNE
1-PENTENE-4-YNE
GLUTARONITRILE
FURFURYL-ALCOHOL
GLUTARIC-ANHYDRIDE
CITRACONIC-ACID
ITACONIC-ACID
2-METHYLTHIOPHENE
3-METHYLTHIOPHENE
N-METHYLPYRROLE
ETHYL-CYANOACETATE
CIS-1,3-PENTADIENE
CYCLOPENTENE
1,2-PENTADIENE
1-TRANS-3-PENTADIENE
1,4-PENTADIENE
1-PENTYNE
2-METHYL-1,3-BUTADIENE
3-METHYL-1-BUTYNE
2,3-PENTADIENE
2-PENTYNE
PENTAERYTHRITOL-TETRANITRATE
CYCLOPENTANONE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
C5H12O2-D4
C5H12O2-D5
C5H12O3
C5H12O4
C5H12S
C5H12S-D1
C5H12S-D2
C5H13N
C5H13NO2
C5H4O2
C5H4O3
C5H5N
C5H6
C5H6-E1
C5H6-E2
C5H6-E3
C5H6N2
C5H6O2
C5H6O3
C5H6O4-E1
C5H6O4-E2
C5H6S-E1
C5H6S-E2
C5H7N
C5H7NO2
C5H8
C5H8-1
C5H8-2
C5H8-3
C5H8-4
C5H8-5
C5H8-6
C5H8-7
C5H8-E2
C5H8-E4
C5H8-E5
C5H8N4O12
C5H8O
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-37
X
X
X
X
X
X
X
Pure Component
Databanks: C6
1-38 Databanks
Alias
Name
P11 P10 P93 P856PCD
C5H8O-D1
C5H8O2
C5H8O2-D1
C5H8O2-D2
C5H8O2-D3
C5H8O2-D4
C5H8O2-D5
C5H8O2-D6
C5H8O3
C5H8O3-D1
C5H8O3-D2
C5H8O4
C5H9N
C5H9NO-D1
C5H9NO-D2
C5H9NO4
C5H9NS
METHYL-ISOPROPENYL-KETONE
ETHYL-ACRYLATE
ACETYLACETONE
ALLYL-ACETATE
METHYL-METHACRYLATE
GAMMA-VALEROLACTONE
VINYL-PROPIONATE
GLUTARALDEHYDE
2-HYDROXYETHYL-ACRYLATE
LEVULINIC-ACID
METHYL-ACETOACETATE
GLUTARIC-ACID
VALERONITRILE
N-BUTYL-ISOCYANATE
N-METHYL-2-PYRROLIDONE
L-GLUTAMIC-ACID
N-METHYLTHIOPYRROLIDONE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C6CL6
C6F12
C6F14
C6F6
C6H10-1
C6H10-2
C6H10-D1
C6H10-D2
C6H10-D3
C6H10-D4
C6H10-E2
C6H10-E3
C6H10-E4
C6H10-E5
C6H10-E6
C6H10-E7
C6H10-E8
C6H10O
C6H10O-D0
C6H10O-D1
C6H10O2-D1
C6H10O2-D2
C6H10O2-D3
C6H10O2-D4
C6H10O2-D5
HEXACHLOROBENZENE
PERFLUOROCYCLOHEXANE
PERFLUORO-N-HEXANE
PERFLUOROBENZENE
1,5-HEXADIENE
CYCLOHEXENE
1-METHYLCYCLOPENTENE
1,2-HEXADIENE
1-HEXYNE
2,3-DIMETHYL-1,3-BUTADIENE
CIS,TRANS-2,4-HEXADIENE
TRANS,TRANS-2,4-HEXADIENE
2-HEXYNE
3-HEXYNE
1,4-HEXADIENE
CYCLOHEXANONE
MESITYL-OXIDE
2-METHYL-2-PENTENAL
CAPROLACTONE
ETHYL-METHACRYLATE
N-PROPYL-ACRYLATE
METHOXYDIHYDROPYRAN
ISOPROPYL-ACRYLATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C6H10O3
C6H10O3-D1
C6H10O3-D2
C6H10O4
C6H10O4-D1
C6H10O4-D2
C6H10O4-D3
C6H10O5
C6H11N
C6H11N-D1
C6H11NO
C6H11NO-D1
C6H12-1
C6H12-10
C6H12-11
C6H12-12
C6H12-13
C6H12-14
C6H12-15
C6H12-2
C6H12-3
C6H12-4
C6H12-5
C6H12-6
C6H12-7
C6H12-8
C6H12-9
C6H12-D1
C6H12-D2
C6H12-D3
C6H12-E3
C6H12CL3PO3
C6H12N2-E1
C6H12N2-E2
C6H12N4
C6H12O
C6H12O-1
C6H12O-2
C6H12O-D1
C6H12O-D2
C6H12O-D3
C6H12O-E1
C6H12O-E2
C6H12O-E3
C6H12O2
2-HYDROXYETHYL-METHACRYLATE
ETHYLACETOACETATE
PROPIONIC-ANHYDRIDE
ETHYLIDENE-DIACETATE
ADIPIC-ACID
DIETHYL-OXALATE
ETHYLENE-GLYCOL-DIACETATE
DILACTIC-ACID
HEXANENITRILE
DIALLYLAMINE
EPSILON-CAPROLACTAM
CYCLOHEXANONE-OXIME
CYCLOHEXANE
3-METHYL-TRANS-2-PENTENE
4-METHYL-CIS-2-PENTENE
4-METHYL-TRANS-2-PENTENE
2,3-DIMETHYL-1-BUTENE
METHYLCYCLOPENTANE
1-HEXENE
CIS-2-HEXENE
TRANS-2-HEXENE
CIS-3-HEXENE
TRANS-3-HEXENE
2-METHYL-2-PENTENE
3-METHYL-CIS-2-PENTENE
2-ETHYL-1-BUTENE
2-METHYL-1-PENTENE
4-METHYL-1-PENTENE
3-METHYL-1-PENTENE
BIS-2-CHLOROETHYL-2-CHLOROETHYL
AMINOCAPRONITRILE
TRIETHYLENEDIAMINE
HEXAMETHYLENETETRAMINE
3-HEXANONE
CYCLOHEXANOL
METHYL-ISOBUTYL-KETONE
BUTYL-VINYL-ETHER
1-HEXANAL
2-HEXANONE
ETHYL-ISOPROPYL-KETONE
3-METHYL-2-PENTANONE
3,3-DIMETHYL-2-BUTANONE
TERT-BUTYL-ACETATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-39
X
X
1-40 Databanks
Alias
Name
P11 P10 P93 P856PCD
C6H12O2-1
C6H12O2-2
C6H12O2-3
C6H12O2-4
C6H12O2-5
C6H12O2-D1
C6H12O2-D2
C6H12O2-D3
C6H12O2-D4
C6H12O2-D5
C6H12O2-D6
C6H12O2-E1
C6H12O3
C6H12O3-D1
C6H12O3-D2
C6H12O3-E1
C6H12O3-E2
C6H12O6
C6H12O6-D1
C6H12S
C6H13I
C6H13N-D1
C6H13N-D2
C6H13N-D3
C6H14-1
C6H14-2
C6H14-3
C6H14-4
C6H14-5
C6H14N2O
C6H14N2O2
C6H14O-1
C6H14O-2
C6H14O-3
C6H14O-D1
C6H14O-D2
C6H14O-D3
C6H14O-D4
C6H14O-D5
C6H14O-D6
C6H14O-E1
C6H14O-E2
C6H14O-E3
C6H14O-E4
C6H14O2-D1
N-BUTYL-ACETATE
ISOBUTYL-ACETATE
ETHYL-BUTYRATE
ETHYL-ISOBUTYRATE
N-PROPYL-PROPIONATE
SEC-BUTYL-ACETATE
CYCLOHEXYL-PEROXIDE
DIACETONE-ALCOHOL
2-ETHYL-BUTYRIC-ACID
N-HEXANOIC-ACID
NEOHEXANOIC-ACID
N-PENTYL-FORMATE
6-HYDROXYHEXANOIC-ACID
2-ETHOXYETHYL-ACETATE
PARALDEHYDE
HYDROXYCAPROIC-ACID
PG-MONOMETHYL-ETHER-ACETATE
DEXTROSE
INOSITOL
CYCLOHEXYL-MERCAPTAN
N-HEXYL-IODIDE
CYCLOHEXYLAMINE
HEXAMETHYLENEIMINE
N-ETHYL-2-METHYLALLYLAMINE
N-HEXANE
2-METHYL-PENTANE
3-METHYL-PENTANE
2,2-DIMETHYL-BUTANE
2,3-DIMETHYL-BUTANE
N-2-HYDROXYETHYL-PIPERAZINE
LYSINE
1-HEXANOL
ETHYL-BUTYL-ETHER
DIISOPROPYL-ETHER
DI-N-PROPYL-ETHER
2-ETHYL-1-BUTANOL
2-METHYL-1-PENTANOL
4-METHYL-2-PENTANOL
3-METHYL-1-PENTANOL
3-METHYL-3-PENTANOL
2-HEXANOL
METHYL-TERT-PENTYL-ETHER
TERT-BUTYL-ETHYL-ETHER
METHYL-N-PENTYL-ETHER
ACETAL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C6H14O2-D2
C6H14O2-D3
C6H14O2-D4
C6H14O2-D5
C6H14O2-D6
C6H14O2-D7
C6H14O2S
C6H14O3-D1
C6H14O3-D2
C6H14O3-D3
C6H14O3-D4
C6H14O4
C6H14O6
C6H14S
C6H14S-D1
C6H14S-D2
C6H14S-D3
C6H14S2
C6H15AL
C6H15AL2CL3
C6H15N-1
C6H15N-2
C6H15N-D1
C6H15N-D2
C6H15N-D3
C6H15N3
C6H15NO
C6H15NO-D1
C6H15NO2
C6H15NO3
C6H15O4P
C6H16N2
C6H16N2-D1
C6H18N3OP
C6H18N4
C6H18O3SI3
C6H18OSI2
C6H19NSI2
C6H3CL2NO2
C6H3CL3
C6H3CL3-D1
C6H3CL3-D2
C6H3CLN2O4
C6H3N3O6
C6H4BR2
2-BUTOXYETHANOL
X
1,6-HEXANEDIOL
X
HEXYLENE-GLYCOL
X
1,2-DIETHOXYETHANE
X
1-ISOPROPOXY-2-PROPANOL
X
PROPYLENE-GLYCOL-N-PROPYL-ETHER X
DI-N-PROPYL-SULFONE
X
DIETHYLENE-GLYCOL-DIMETHYL-ETHER X
DIPROPYLENE-GLYCOL
X
2-2-ETHOXYETHOXY-ETHANOL
X
TRIMETHYLOLPROPANE
X
TRIETHYLENE-GLYCOL
X
SORBITOL
X
N-HEXYLMERCAPTAN
X
DI-N-PROPYL-SULFIDE
X
METHYL-T-PENTYL-SULFIDE
X
ETHYL-T-BUTYL-SULFIDE
X
DI-N-PROPYLDISULFIDE
X
TRIETHYL-ALUMINUM
X
ETHYL-ALUMINUM-SESQUICHLORIDE
X
DIPROPYLAMINE
X
TRIETHYLAMINE
X
DIISOPROPYLAMINE
X
N-HEXYLAMINE
X
N,N-DIMETHYL-N-BUTYLAMINE
X
N-AMINOETHYL-PIPERAZINE
X
6-AMINOHEXANOL
X
DIETHYLETHANOLAMINE
X
DIISOPROPANOLAMINE
X
TRIETHANOLAMINE
X
TRIETHYL-PHOSPHATE
X
HEXAMETHYLENEDIAMINE
X
TETRAMETHYLETHYLENEDIAMINE
X
HEXAMETHYL-PHOSPHORAMIDE
X
TRIETHYLENE-TETRAMINE
X
HEXAMETHYLCYCLOTRISILOXANE
X
HEXAMETHYLDISILOXANE
X
HEXAMETHYLDISILAZANE
X
1,2-DICHLORO-4-NITROBENZENE
X
1,2,4-TRICHLOROBENZENE
X
X
X
1-CHLORO-2,4-DINITROBENZENE
X
1,3,5-TRINITROBENZENE
X
M-DIBROMOBENZENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-41
X
X
1-42 Databanks
Alias
Name
P11 P10 P93 P856PCD
C6H4CL2-1
C6H4CL2-2
C6H4CL2-3
C6H4CLNO2-D1
C6H4CLNO2-D2
C6H4CLNO2-D3
C6H4N2
C6H4N2O4-E1
C6H4N2O4-E2
C6H4N2O4-E3
C6H4O2
C6H5BR
C6H5CL
C6H5CL2N
C6H5CLO-E1
C6H5CLO-E2
C6H5CLO-E3
C6H5F
C6H5I
C6H5NO2
C6H5NO2-D1
C6H5SICL3
C6H6
C6H6CLN-D1
C6H6CLN-D2
C6H6CLN-D3
C6H6N2-E1
C6H6N2-E2
C6H6N2-E3
C6H6N2O2-D1
C6H6N2O2-D2
C6H6N2O2-D3
C6H6N4
C6H6O
C6H6O2
C6H6O2-E1
C6H6O2-E2
C6H6O3
C6H6O3S
C6H6S
C6H7N-1
C6H7N-2
C6H7N-D1
C6H7N-D2
C6H7NO3S
O-DICHLOROBENZENE
M-DICHLOROBENZENE
P-DICHLOROBENZENE
M-CHLORONITROBENZENE
O-CHLORONITROBENZENE
P-CHLORONITROBENZENE
NICOTINONITRILE
M-DINITROBENZENE
O-DINITROBENZENE
P-DINITROBENZENE
QUINONE
BROMOBENZENE
CHLOROBENZENE
3,4-DICHLOROANILINE
M-CHLOROPHENOL
O-CHLOROPHENOL
P-CHLOROPHENOL
FLUOROBENZENE
IODOBENZENE
NITROBENZENE
NIACIN
PHENYLTRICHLOROSILANE
BENZENE
M-CHLOROANILINE
O-CHLOROANILINE
P-CHLOROANILINE
CIS-DICYANO-1-BUTENE
TRANS-DICYANO-1-BUTENE
1,4-DICYANO-2-BUTENE
M-NITROANILINE
O-NITROANILINE
P-NITROANILINE
2,2,2-NITRILOTRIS-ACETONITRILE
PHENOL
P-HYDROQUINONE
1,2-BENZENEDIOL
1,3-BENZENEDIOL
1,2,3-BENZENETRIOL
BENZENESULFONIC-ACID
PHENYL-MERCAPTAN
ANILINE
4-METHYLPYRIDINE
2-METHYLPYRIDINE
3-METHYLPYRIDINE
SULFANILIC-ACID
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C7
Alias
Name
P11 P10 P93 P856PCD
C6H8-E1
C6H8-E2
C6H8-E3
C6H8N2
C6H8N2-D1
C6H8N2-D2
C6H8N2-D3
C6H8N2-D4
C6H8N2-D5
C6H8N2O
C6H8O4
C6H8O6
C6H8O7
1,3-CYCLOHEXADIENE
METHYLCYCLOPENTADIENE
1,4-CYCLOHEXADIENE
METHYLGLUTARONITRILE
ADIPONITRILE
M-PHENYLENEDIAMINE
O-PHENYLENEDIAMINE
P-PHENYLENEDIAMINE
PHENYLHYDRAZINE
BIS-CYANOETHYL-ETHER
DIMETHYL-MALEATE
ASCORBIC-ACID
CITRIC-ACID
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C7F14
C7F16
C7H10
C7H10N2
C7H10N2-D1
C7H10O2
C7H11NO
C7H12
C7H12-D1
C7H12O2
C7H12O2-D1
C7H12O2-D2
C7H12O2-D3
C7H12O2-D4
C7H12O3
C7H12O4
C7H12O4-D1
C7H14-1
C7H14-2
C7H14-3
C7H14-4
C7H14-5
C7H14-6
C7H14-7
C7H14-8
C7H14-D1
C7H14-D2
C7H14-D3
C7H14-E10
PERFLUOROMETHYLCYCLOHEXANE
PERFLUORO-N-HEPTANE
2-NORBORNENE
TOLUENEDIAMINE
2,6-DIAMINOTOLUENE
ALLYL-METHACRYLATE
CYCLOHEXYL-ISOCYANATE
CYCLOHEPTENE
1-HEPTYNE
CYCLOPENTYLACETIC-ACID
N-BUTYL-ACRYLATE
ISOBUTYL-ACRYLATE
N-PROPYL-METHACRYLATE
CYCLOHEXYL-FORMATE
2-HYDROXYPROPYL-METHACRYLATE
DIETHYL-MALONATE
PIMELIC-ACID
CYCLOHEPTANE
1,1-DIMETHYLCYCLOPENTANE
CIS-1,2-DIMETHYLCYCLOPENTANE
TRANS-1,2-DIMETHYLCYCLOPENTANE
ETHYLCYCLOPENTANE
METHYLCYCLOHEXANE
1-HEPTENE
2,3,3-TRIMETHYL-1-BUTENE
CIS-2-HEPTENE
CIS-3-HEPTENE
5-METHYL-1-HEXENE
3-METHYL-1-HEXENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-43
X
X
X
X
X
X
X
X
1-44 Databanks
Alias
Name
P11 P10 P93 P856PCD
C7H14-E2
C7H14-E3
C7H14-E4
C7H14-E5
C7H14-E6
C7H14-E7
C7H14-E8
C7H14-E9
C7H14O
C7H14O-D1
C7H14O-D10
C7H14O-D2
C7H14O-D3
C7H14O-D4
C7H14O-D5
C7H14O-D6
C7H14O-D7
C7H14O-D8
C7H14O-D9
C7H14O-E1
C7H14O-E2
C7H14O-E3
C7H14O-E4
C7H14O2-D1
C7H14O2-D2
C7H14O2-D3
C7H14O2-D4
C7H14O2-D5
C7H14O2-D6
C7H14O2-D7
C7H14O2-D8
C7H14O2-D9
C7H14O3
C7H14O3-D1
C7H15BR
C7H15N
C7H16-1
C7H16-2
C7H16-3
C7H16-4
C7H16-5
C7H16-6
C7H16-7
C7H16-8
C7H16-9
CIS-1,3-DIMETHYLCYCLOPENTANE
TRANS-1,3-DIMETHYLCYCLOPENTANE
TRANS-2-HEPTENE
TRANS-3-HEPTENE
4-METHYL-1-HEXENE
2-ETHYL-1-PENTENE
3-ETHYL-1-PENTENE
2-METHYL-1-HEXENE
DIISOPROPYL-KETONE
1-HEPTANAL
5-METHYL-2-HEXANONE
2-HEPTANONE
1-METHYLCYCLOHEXANOL
CIS-2-METHYLCYCLOHEXANOL
TRANS-2-METHYLCYCLOHEXANOL
3-HEPTANONE
4-HEPTANONE
2-METHYLHEXANAL
3-METHYLHEXANAL
N-BUTYL-PROPIONATE
ETHYL-ISOVALERATE
N-HEPTANOIC-ACID
ISOPENTYL-ACETATE
N-PENTYL-ACETATE
N-PROPYL-N-BUTYRATE
N-PROPYL-ISOBUTYRATE
N-HEXYL-FORMATE
NEOHEPTANOIC-ACID
ETHYL-3-ETHOXYPROPIONATE
PG-ETHYL-ETHER-ACETATE
1-BROMOHEPTANE
N-METHYLCYCLOHEXYLAMINE
N-HEPTANE
2-METHYLHEXANE
3-METHYLHEXANE
2,2-DIMETHYLPENTANE
2,3-DIMETHYLPENTANE
2,4-DIMETHYLPENTANE
3,3-DIMETHYLPENTANE
3-ETHYLPENTANE
2,2,3-TRIMETHYLBUTANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C7H16O
C7H16O-D0
C7H16O-D1
C7H16O-D2
C7H16O-D3
C7H16O-E1
C7H16O-E2
C7H16O2
C7H16O2-D1
C7H16O3
C7H16O3-D1
C7H16O4
C7H16S
C7H17N
C7H3CL2F3
C7H3CL2NO
C7H3CLF3NO2
C7H4CL2O
C7H4CLF3
C7H4F3NO2
C7H5CL3
C7H5CLO
C7H5CLO2
C7H5F3
C7H5N
C7H5N3O6
C7H5N5O8
C7H5NAO2
C7H5NO
C7H5NS2
C7H6CL2
C7H6CL2-D1
C7H6N2O4-E1
C7H6N2O4-E2
C7H6N2O4-E3
C7H6N2O4-E4
C7H6N2O4-E5
C7H6O
C7H6O2
C7H6O2-D0
C7H6O2-E1
C7H6O3
C7H7BR
C7H7CL-D1
C7H7CL-D2
1-HEPTANOL
X
2-HEPTANOL
X
ISOPROPYL-BUTYL-ETHER
X
ISOPROPYL-ISOBUTYL-ETHER
X
2-METHYL-1-HEXANOL
X
ISOHEPTANOL
X
ETHYL-TERT-PENTYL-ETHER
X
PG-1-TERT-BUTYL-ETHER
X
PG-2-TERT-BUTYL-ETHER
X
DPG-MONOMETHYL-ETHER
X
DIETHYLENE-GLYCOL-PROPYL-ETHER
X
2-2-2-METHOXYETHOXY-ETHOXY-ETHAN X
N-HEPTYL-MERCAPTAN
X
1-AMINOHEPTANE
X
2,4-DICHLOROBENZOTRIFLUORIDE
X
3,4-DICHLOROPHENYL-ISOCYANATE
X
4-CHLORO-3-NITROBENZOTRIFLUORIDE X
M-CHLOROBENZOYL-CHLORIDE
X
P-CHLOROBENZOTRIFLUORIDE
X
3-NITROBENZOTRIFLUORIDE
X
BENZOTRICHLORIDE
X
BENZOYL-CHLORIDE
X
O-CHLOROBENZOIC-ACID
X
BENZOTRIFLUORIDE
X
BENZONITRILE
X
2,4,6-TRINITROTOLUENE
X
TETRYL
X
SODIUM-BENZOATE
PHENYL-ISOCYANATE
X
2-MERCAPTOBENZOTHIAZOLE
X
2,4-DICHLOROTOLUENE
X
BENZYL-DICHLORIDE
X
2,4-DINITROTOLUENE
X
2,5-DINITROTOLUENE
X
2,6-DINITROTOLUENE
X
3,4-DINITROTOLUENE
X
3,5-DINITROTOLUENE
X
BENZALDEHYDE
X
BENZOIC-ACID
X
SALICYLALDEHYDE
X
P-HYDROXY-BENZALDEHYDE
X
SALICYLIC-ACID
X
P-BROMOTOLUENE
X
BENZYL-CHLORIDE
X
O-CHLOROTOLUENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-45
X
X
Pure Component
Databanks: C8
1-46 Databanks
Alias
Name
P11 P10 P93 P856PCD
C7H7CL-D3
C7H7NO
C7H7NO2-D1
C7H7NO2-D2
C7H7NO2-D3
C7H7NO3
C7H8
C7H8O-1
C7H8O-2
C7H8O-3
C7H8O-4
C7H8O-5
C7H8O2
C7H8O2-E1
C7H8O3S
C7H8O3S-D1
C7H8S
C7H8SICL2
C7H9N-1
C7H9N-2
C7H9N-3
C7H9N-4
C7H9N-5
C7H9N-6
C7H9N-7
C7H9N-8
C7H9N-D1
C7H9N-D2
P-CHLOROTOLUENE
FORMANILIDE
M-NITROTOLUENE
O-NITROTOLUENE
P-NITROTOLUENE
O-NITROANISOLE
TOLUENE
METHYL-PHENYL-ETHER
BENZYL-ALCOHOL
O-CRESOL
M-CRESOL
P-CRESOL
P-METHOXYPHENOL
GUAIACOL
P-TOLUENESULFONIC-ACID
O-TOLUENESULFONIC-ACID
BENZYL-MERCAPTAN
PHENYLMETHYLDICHLOROSILANE
2,3-DIMETHYLPYRIDINE
METHYLPHENYLAMINE
O-TOLUIDINE
M-TOLUIDINE
P-TOLUIDINE
BENZYLAMINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C8H10-1
C8H10-2
C8H10-3
C8H10-4
C8H10N4O2
C8H10O
C8H10O-1
C8H10O-10
C8H10O-2
C8H10O-3
C8H10O-4
C8H10O-5
C8H10O-6
C8H10O-7
O-XYLENE
M-XYLENE
P-XYLENE
ETHYLBENZENE
CAFFEINE
2-PHENYLETHANOL
O-ETHYLPHENOL
3,5-XYLENOL
M-ETHYLPHENOL
P-ETHYLPHENOL
PHENETOLE
2,3-XYLENOL
2,4-XYLENOL
2,5-XYLENOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C8H10O-8
C8H10O-9
C8H10O-D1
C8H10O-D2
C8H10O-D5
C8H10O-D6
C8H10O2
C8H10O4
C8H11N
C8H11N-D0
C8H11N-D1
C8H11N-D2
C8H11NO
C8H12
C8H12-D1
C8H12-D2
C8H12O4-E1
C8H12O4-E2
C8H14
C8H14-D1
C8H14-D2
C8H14-D3
C8H14O
C8H14O2
C8H14O2-D1
C8H14O2-D2
C8H14O3
C8H14O4
C8H14O4-D1
C8H14O4-D2
C8H16-1
C8H16-10
C8H16-11
C8H16-12
C8H16-13
C8H16-14
C8H16-15
C8H16-16
C8H16-17
C8H16-2
C8H16-3
C8H16-4
C8H16-5
C8H16-6
C8H16-7
2,6-XYLENOL
3,4-XYLENOL
ALPHA-METHYLBENZYL-ALCOHOL
P-TOLUALCOHOL
O-TOLUALCOHOL
M-TOLUALCOHOL
ETHYLBENZENE-HYDROPEROXIDE
ETHYLENE-GLYCOL-DIACRYLATE
N,N-DIMETHYLANILINE
O-ETHYLANILINE
2,4,6-TRIMETHYLPYRIDINE
N-ETHYLANILINE
P-PHENETIDINE
VINYLCYCLOHEXENE
1,5-CYCLOOCTADIENE
METHYLNORBORNENE
1,4-CYCLOHEXANEDICARBOXYLIC-ACID
DIETHYL-MALEATE
CYCLOOCTENE
1-OCTYNE
2,5-DIMETHYL-1,5-HEXADIENE
2,5-DIMETHYL-2,4-HEXADIENE
2-ETHYL-2-HEXENAL
N-BUTYL-METHACRYLATE
ISOBUTYL-METHACRYLATE
CYCLOHEXYL-ACETATE
BUTYRIC-ANHYDRIDE
DIETHYL-SUCCINATE
SUBERIC-ACID
6-ACETOXY-2,4-DIMETHYL-M-DIOXANE
1,1-DIMETHYLCYCLOHEXANE
1,1,3-TRIMETHYLCYCLOPENTANE
CIS,CIS,TRANS-1,2,4-TRIMETHYLCYC
CIS,TRANS,CIS-1,2,4-TRIMETHYLCYC
1-METHYL-1-ETHYLCYCLOPENTANE
N-PROPYLCYCLOPENTANE
ISOPROPYLCYCLOPENTANE
1-OCTENE
TRANS-2-OCTENE
CIS-1,2-DIMETHYLCYCLOHEXANE
TRANS-1,2-DIMETHYLCYCLOHEXANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-47
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
1-48 Databanks
Alias
Name
P11 P10 P93 P856PCD
C8H16-8
C8H16-9
C8H16-D1
C8H16-D10
C8H16-D2
C8H16-D3
C8H16-D4
C8H16-D5
C8H16-D6
C8H16-D7
C8H16-D8
C8H16-D9
C8H16-E1
C8H16-E2
C8H16O
C8H16O-E1
C8H16O-E2
C8H16O2
C8H16O2-D1
C8H16O2-D2
C8H16O2-D3
C8H16O2-D4
C8H16O2-D5
C8H16O2-D6
C8H16O3
C8H16O4
C8H18
C8H18-1
C8H18-10
C8H18-11
C8H18-12
C8H18-13
C8H18-14
C8H18-15
C8H18-16
C8H18-17
C8H18-2
C8H18-3
C8H18-4
C8H18-5
C8H18-6
C8H18-7
C8H18-8
C8H18-9
C8H18O
ETHYLCYCLOHEXANE
1,1,2-TRIMETHYLCYCLOPENTANE
2-ETHYL-1-HEXENE
6-METHYL-1-HEPTENE
TRANS-3-OCTENE
TRANS-4-OCTENE
2,4,4-TRIMETHYL-1-PENTENE
2,4,4-TRIMETHYL-2-PENTENE
CYCLOOCTANE
CIS-2-OCTENE
CIS-4-OCTENE
CIS-3-OCTENE
2,3-DIMETHYL-1-HEXENE
2-METHYL-1-HEPTENE
2-ETHYLHEXANAL
1-OCTANAL
2-OCTANONE
1,4-CYCLOHEXANEDIMETHANOL
N-BUTYL-N-BUTYRATE
ISOBUTYL-ISOBUTYRATE
N-OCTANOIC-ACID
N-HEXYL-ACETATE
N-HEPTYL-FORMATE
2-ETHYL-HEXANOIC-ACID
EG-MONOBUTYL-ETHER-ACETATE
2-2-ETHOXYETHOXY-ETHYL-ACETATE
2,2,3,3-TETRAMETHYLBUTANE
N-OCTANE
3,4-DIMETHYLHEXANE
3-ETHYLHEXANE
2,2,3-TRIMETHYLPENTANE
2-METHYL-3-ETHYLPENTANE
3-METHYL-3-ETHYLPENTANE
2-METHYLHEPTANE
3-METHYLHEPTANE
4-METHYLHEPTANE
2,2-DIMETHYLHEXANE
2,3-DIMETHYLHEXANE
2,4-DIMETHYLHEXANE
2,5-DIMETHYLHEXANE
3,3-DIMETHYLHEXANE
DI-TERT-BUTYL-ETHER
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C8H18O-1
C8H18O-2
C8H18O-3
C8H18O-4
C8H18O-D1
C8H18O-D2
C8H18O-D3
C8H18O2
C8H18O2-D1
C8H18O2-E2
C8H18O2S
C8H18O3
1-OCTANOL
2-OCTANOL
2-ETHYLHEXANOL
BUTYL-ETHER
DI-SEC-BUTYL-ETHER
DIISOBUTYL-ETHER
ETHYL-N-HEXYL-ETHER
DI-T-BUTYL-PEROXIDE
2-HEXOXYETHANOL
2,2,4-TRIMETHYL-1,3-PENTANEDIOL
DI-N-BUTYL-SULFONE
DIETHYLENE-GLYCOL-MONOBUTYLETHE
DIETHYLENE-GLYCOL-DIETHYL-ETHER
TRIETHYLENE-GLYCOL-DIMETHYL-ETHE
TRIETHYLENE-GLYCOL-ETHYL-ETHER
TETRAETHYLENE-GLYCOL
TERT-OCTYLMERCAPTAN
N-OCTYL-MERCAPTAN
DI-N-BUTYL-SULFATE
DIBUTYLAMINE
N-OCTYLAMINE
DIISOBUTYLAMINE
TETRAETHYL-LEAD
TETRAETHYL-SILANE
TETRAETHYLENEPENTAMINE
OCTAMETHYLCYCLOTETRASILOXANE
OCTAMETHYLTRISILOXANE
ISOPHTHALOYL-CHLORIDE
PHTHALIC-ANHYDRIDE
ETHYNYLBENZENE
TEREPHTHALDEHYDE
4-CARBOXYBENZALDEHYDE
2-FORMYL-BENZOIC-ACID
ISOPHTHALIC-ACID
PHTHALIC-ACID
TEREPHTHALIC-ACID
BENZOTHIOPHENE
INDOLE
PHENYLACETONITRILE
STYRENE
METHYL-PHENYL-KETONE
P-TOLUALDEHYDE
4-HYDROXYSTYRENE
O-TOLUALDEHYDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
C8H18O3-D1
C8H18O4
C8H18O4-D1
C8H18O5
C8H18S
C8H18S-D1
C8H18SO4
C8H19N
C8H19N-D0
C8H19N-D1
C8H20PB
C8H20SI
C8H23N5
C8H24O4SI4
C8H24SI3O2
C8H4CL2O2
C8H4O3
C8H6
C8H6O2
C8H6O3
C8H6O3-D1
C8H6O4-D1
C8H6O4-D2
C8H6O4-D3
C8H6S
C8H7N
C8H7N-D1
C8H8
C8H8O
C8H8O-D0
C8H8O-D1
C8H8O-D2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-49
X
X
Pure Component
Databanks: C9
1-50 Databanks
Alias
Name
P11 P10 P93 P856PCD
C8H8O-D3
C8H8O2
C8H8O2-D1
C8H8O2-D2
C8H8O2-D3
C8H8O2-D4
C8H8O2-D5
C8H8O3
C8H8O3-D1
C8H9NO
C8H9NO2
M-TOLUALDEHYDE
METHYL-BENZOATE
O-TOLUIC-ACID
P-TOLUIC-ACID
BENZYL-FORMATE
2-HYDROXYACETOPHENONE
4-HYDROXYACETOPHENONE
METHYL-SALICYLATE
VANILLIN
ACETANILIDE
ACETAMINOPHEN
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C9H10
C9H10-E1
C9H10-E2
C9H10-E3
C9H10-E4
C9H10-E5
C9H10-E6
C9H10O
C9H10O2
C9H10O2-D0
C9H10O2-D1
C9H10O3
C9H10O3-D1
C9H10O3-D2
C9H11NO
C9H11NO2
C9H12
C9H12-1
C9H12-2
C9H12-3
C9H12-4
C9H12-5
C9H12-6
C9H12-7
C9H12-8
C9H12-D1
C9H12O
C9H12O-D1
C9H12O-D2
C9H12O-D3
C9H12O-D4
ALPHA-METHYL-STYRENE
INDANE
M-METHYL-STYRENE
O-METHYL-STYRENE
P-METHYL-STYRENE
CIS-1-PROPENYLBENZENE
TRANS-1-PROPENYLBENZENE
2-PHENYLPROPIONALDEHYDE
ETHYL-BENZOATE
BENZYL-ACETATE
ALPHA-METHYLBENZYL-FORMATE
ETHYL-VANILLIN
ACETOVANILLONE
4-METHOXYPHENYLACETIC-ACID
P-DIMETHYLAMINOBENZALDEHYDE
L-PHENYLALANINE
5-ETHYLIDENE-2-NORBORNENE
N-PROPYLBENZENE
ISOPROPYLBENZENE
1-METHYL-2-ETHYLBENZENE
1,2,3-TRIMETHYLBENZENE
VINYLNORBORNENE
BENZYL-ETHYL-ETHER
1-PHENYL-1-PROPANOL
1-PHENYL-2-PROPANOL
2-PHENYL-1-PROPANOL
3-PHENYL-1-PROPANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C9H12O-E1
C9H12O2
C9H14
C9H14-D1
C9H14-D2
C9H14O
C9H14O6
C9H14O7
C9H15N
C9H16-D1
C9H16O4
C9H18
C9H18-1
C9H18-2
C9H18-3
C9H18-D1
C9H18-D2
C9H18-D3
C9H18O
C9H18O-D1
C9H18O-E1
C9H18O-E2
C9H18O2
C9H18O2-D1
C9H18O2-D2
C9H18O2-D3
C9H18O3
C9H18O4
C9H20-1
C9H20-2
C9H20-3
C9H20-4
C9H20-5
C9H20-6
C9H20-7
C9H20-8
C9H20-9
C9H20-D1
C9H20-D2
C9H20-D3
C9H20-D4
C9H20-E1
C9H20-E2
C9H20-E3
C9H20-E4
DIMETHYL-PHENYL-CARBINOL
CUMENE-HYDROPEROXIDE
PROPENYL-CYCLOHEXENE
ETHYLNORBORNENE
1-METHYL-4-VINYLCYCLOHEXENE
ISOPHORONE
GLYCERYL-TRIACETATE
TRILACTIC-ACID
TRIALLYLAMINE
1-NONYNE
AZELAIC-ACID
1-TRANS-3,5-TRIMETHYLCYCLOHEXANE
N-PROPYLCYCLOHEXANE
ISOPROPYLCYCLOHEXANE
1-NONENE
N-BUTYLCYCLOPENTANE
2-METHYL-1-OCTENE
7-METHYL-1-OCTENE
1-NONANAL
DIISOBUTYL-KETONE
2-NONANONE
5-NONANONE
N-NONANOIC-ACID
N-BUTYL-VALERATE
N-OCTYL-FORMATE
N-HEPTYL-ACETATE
TRIACETONE-ALCOHOL
DPG-MONOMETHYL-ETHER-ACETATE
N-NONANE
2,2,3-TRIMETHYLHEXANE
3,3-DIETHYLPENTANE
2,2,3,3-TETRAMETHYLPENTANE
2-METHYLOCTANE
3-METHYLOCTANE
4-METHYLOCTANE
2,2-DIMETHYLHEPTANE
2,6-DIMETHYLHEPTANE
2,2-DIMETHYL-3-ETHYLPENTANE
2,4-DIMETHYL-3-ETHYLPENTANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-51
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C10
1-52 Databanks
Alias
Name
P11 P10 P93 P856PCD
C9H20-E5
C9H20O-D1
C9H20O-D2
C9H20O-E1
C9H20O3
C9H20O4
C9H20S
C9H20S-D1
C9H21N-D1
C9H21N-D2
C9H4O5
C9H6N2O2
C9H6N2O2-D1
C9H6O6
C9H7N-D1
C9H7N-D2
C9H7NO
C9H8
C9H8O
C9H8O2
C9H8O4
3-ETHYLHEPTANE
2,6-DIMETHYL-4-HEPTANOL
1-NONANOL
2-NONANOL
DPG-N-PROPYL-ETHER
TRIPROPYLENE-GLYCOL
N-NONYL-MERCAPTAN
TERT-NONYL-MERCAPTAN
N-NONYLAMINE
TRIPROPYLAMINE
TRIMELLITIC-ANHYDRIDE
TOLUENE-DIISOCYANATE
2,6-TOLUENE-DIISOCYANATE
TRIMELLITIC-ACID
ISOQUINOLINE
QUINOLINE
8-HYDROXYQUINOLINE
INDENE
2-METHYLBENZOFURAN
CINNAMIC-ACID
ACETYLSALICYLIC-ACID
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C10H10-D1
C10H10-D2
C10H10-D3
C10H10O4-D1
C10H10O4-D2
C10H10O4-D3
C10H11NO2
C10H12
C10H12-D0
C10H12-E1
C10H12-E2
C10H12-E3
C10H12O
C10H12O2
C10H12O4
C10H14-1
C10H14-2
C10H14-3
C10H14-4
C10H14-5
C10H14-6
M-DIVINYLBENZENE
1-METHYLINDENE
2-METHYLINDENE
O-DIMETHYL-PHTHALATE
DIMETHYL-TEREPHTHALATE
DIMETHYL-ISOPHTHALATE
ACETOACETANILIDE
1,2,3,4-TETRAHYDRONAPHTHALENE
DICYCLOPENTADIENE
2-PHENYLBUTENE-1
CIS-2-PHENYLBUTENE-2
TRANS-2-PHENYLBUTENE-2
ANETHOLE
N-PROPYL-BENZOATE
DIALLYL-MALEATE
N-BUTYLBENZENE
ISOBUTYLBENZENE
SEC-BUTYLBENZENE
TERT-BUTYLBENZENE
1-METHYL-2-ISOPROPYLBENZENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
C10H14-7
C10H14-8
C10H14-9
C10H14-D1
C10H14-D2
C10H14-D3
C10H14-E1
C10H14-E10
C10H14-E2
C10H14-E3
C10H14-E4
C10H14-E5
C10H14-E6
C10H14-E7
C10H14-E8
C10H14-E9
C10H14O
C10H14O2
C10H14O5
X
1,4-DIETHYLBENZENE
X
1,2,4,5-TETRAMETHYLBENZENE
X
M-DIETHYLBENZENE
X
O-DIETHYLBENZENE
X
1,2-DIMETHYL-3-ETHYLBENZENE
X
2-ETHYL-M-XYLENE
X
1-METHYL-4-N-PROPYLBENZENE
X
2-ETHYL-P-XYLENE
X
4-ETHYL-M-XYLENE
X
4-ETHYL-O-XYLENE
X
5-ETHYL-M-XYLENE
X
1,2,3,5-TETRAMETHYL-BENZENE
X
1,2,3,4-TETRAMETHYL-BENZENE
X
X
X
P-TERT-BUTYLPHENOL
X
P-TERT-BUTYLCATECHOL
X
2-ACETOACETOXY-ETHYLX
METHACRYLAT
N-BUTYLANILINE
X
N,N-DIETHYLANILINE
X
2,6-DIETHYLANILINE
X
D-LIMONENE
X
ALPHA-PINENE
X
BETA-PINENE
X
TERPINOLENE
X
ADAMANTANE
X
CAMPHENE
X
ALPHA-PHELLANDRENE
X
BETA-PHELLANDRENE
X
ALPHA-TERPINENE
X
GAMMA-TERPINENE
X
ETHYLENEDIAMINETETRAACETIC-ACID X
CAMPHOR
X
DIPROPYL-MALEATE
X
DIMETHYL-1,4-CYCLOHEXANEDICARBOX X
CIS-DECALIN
X
TRANS-DECALIN
X
1-DECYNE
X
SEBACIC-ACID
X
CAPRYLONITRILE
X
MALATHION
X
N-BUTYLCYCLOHEXANE
X
ISOBUTYLCYCLOHEXANE
X
C10H15N
C10H15N-E1
C10H15N-E2
C10H16-D1
C10H16-D2
C10H16-D3
C10H16-D4
C10H16-D5
C10H16-E1
C10H16-E2
C10H16-E3
C10H16-E4
C10H16-E5
C10H16N2O8
C10H16O
C10H16O4
C10H16O4-D1
C10H18-1
C10H18-2
C10H18-D1
C10H18O4
C10H19N
C10H19O6PS2
C10H20-1
C10H20-2
P11 P10 P93 P856PCD

X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-53
X
X
Alias
Name
C10H20-3
C10H20-4
C10H20-5
C10H20-D1
C10H20-D2
C10H20-D3
C10H20-D4
C10H20-D5
C10H20-D6
C10H20O
C10H20O-D1
C10H20O2
C10H20O2-D1
C10H20O2-D2
C10H20O2-D3
C10H20O2-D4
C10H20O2-D5
C10H20O4
SEC-BUTYLCYCLOHEXANE
X
TERT-BUTYLCYCLOHEXANE
X
1-DECENE
X
CIS-2-DECENE
X
TRANS-2-DECENE
X
1,1-DIETHYLCYCLOHEXANE
X
1,2,3,4-TETRAMETHYLCYCLOHEXANE
X
2-METHYL-1-NONENE
X
8-METHYL-1-NONENE
X
1-DECANAL
X
L-MENTHOL
X
P-MENTHANE-HYDROPEROXIDE
X
N-DECANOIC-ACID
X
2-ETHYLHEXYL-ACETATE
X
ISOPENTYL-ISOVALERATE
X
N-OCTYL-ACETATE
X
N-NONYL-FORMATE
X
DIGLYCOL-MONOBUTYL-ETHERX
ACETATE
N-DECANE
X
3,3,5-TRIMETHYLHEPTANE
X
2,2,3,3-TETRAMETHYLHEXANE
X
2,2,5,5-TETRAMETHYLHEXANE
X
2,3-DIMETHYLOCTANE
X
2,4-DIMETHYLOCTANE
X
2,5-DIMETHYLOCTANE
X
2,6-DIMETHYLOCTANE
X
2,7-DIMETHYLOCTANE
X
2,2-DIMETHYL-OCTANE
X
2-METHYLNONANE
X
3-METHYLNONANE
X
4-METHYLNONANE
X
5-METHYLNONANE
X
1-DECANOL
X
ISODECANOL
X
DI-N-PENTYL-ETHER
X
ETHYLENE-GLYCOL-2-ETHYLHEXYL-ETH X
2-2-HEXOXYETHOXY-ETHANOL
X
DIPROPYLENE-GLYCOL-T-BUTYL-ETHER X
TRIPROPYLENE-GLYCOL-MONOMETHYL- X
E
TRIETHYLENE-GLYCOL-BUTYL-ETHER
X
TETRAETHYLENE-GLYCOL-DIMETHYL- X
ET
N-DECYL-MERCAPTAN
X
ETHYL-N-OCTYL-SULFIDE
X
C10H22-1
C10H22-2
C10H22-3
C10H22-4
C10H22-D1
C10H22-D2
C10H22-D3
C10H22-D4
C10H22-D5
C10H22-E1
C10H22-E2
C10H22-E3
C10H22-E4
C10H22-E5
C10H22O
C10H22O-D0
C10H22O-D1
C10H22O2
C10H22O3-D1
C10H22O3-E1
C10H22O4
C10H22O4-D1
C10H22O5
C10H22S
C10H22S-D1
1-54 Databanks
P11 P10 P93 P856PCD

X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C11
Pure Component
Databanks: C12
Alias
Name
P11 P10 P93 P856PCD
C10H23N
C10H23N-D1
C10H24N2
C10H28N6
C10H30SI4O3
C10H30SI5O5
C10H6O8
C10H7BR
C10H7CL
C10H8
C10H9N
N-DECYLAMINE
DIAMYLAMINE
N,N-DI-TERT-BUTYLETHYLENEDIAMINE
PENTAETHYLENE-HEXAMINE
DECAMETHYLTETRASILOXANE
DECAMETHYLCYCLOPENTASILOXANE
PYROMELLITIC-ACID
1-BROMONAPHTHALENE
1-CHLORONAPHTHALENE
NAPHTHALENE
QUINALDINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C11H10-1
C11H10-2
C11H12
C11H14O2
C11H16
C11H16-D1
C11H16-D2
C11H16O
C11H20O2
C11H22-1
C11H22-2
C11H22O
C11H22O2
C11H22O2-D1
C11H22O2-D2
C11H22O2-D3
C11H24
C11H24O
C11H24S
C11H25N
1-METHYLNAPHTHALENE
2-METHYLNAPHTHALENE
P-ISOPROPENYLSTYRENE
BUTYL-BENZOATE
N-PENTYLBENZENE
1-ETHYL-2-ISOPROPYLBENZENE
PENTAMETHYLBENZENE
P-TERT-AMYLPHENOL
2-ETHYLHEXYL-ACRYLATE
N-HEXYLCYCLOPENTANE
1-UNDECENE
1-UNDECANAL
N-NONYL-ACETATE
N-DECYL-FORMATE
METHYL-DECANOATE
N-UNDECANOIC-ACID
N-UNDECANE
1-UNDECANOL
UNDECYL-MERCAPTAN
UNDECYLAMINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C12H10
C12H10-D0
C12H10N2O2-A
C12H10N2O2-B
C12H10O
C12H11N
C12H11N-D1
C12H11N3-E1
DIPHENYL
ACENAPHTHENE
O-NITRODIPHENYLAMINE
P-NITRODIPHENYLAMINE
DIPHENYL-ETHER
DIPHENYLAMINE
P-AMINODIPHENYL
P-AMINOAZOBENZENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-55
1-56 Databanks
Alias
Name
P11 P10 P93 P856PCD
C12H11N3-E2
C12H12-E1
C12H12-E2
C12H12-E3
C12H12-E4
C12H12N2-D1
C12H12N2-D2
C12H12N2-D3
C12H14
C12H14O4
C12H14O6
C12H16
C12H16-D1
C12H16-D2
C12H18
C12H18-D1
C12H18-D2
C12H18-D3
C12H18-D4
C12H18-D5
C12H18-D6
C12H18-D7
C12H18-D8
C12H18O2
C12H18O2-D1
C12H20O
C12H20O4
C12H22
C12H22O11
C12H23N
C12H24-1
C12H24-2
C12H24-D1
C12H24-D2
C12H24O
C12H24O2
C12H24O2-E1
C12H24O3
C12H26
C12H26-D1
C12H26O-1
C12H26O-2
C12H26O3
C12H26S
C12H26S-E1
1,3-DIPHENYLTRIAZENE
X
2,6-DIMETHYLNAPHTHALENE
X
2,7-DIMETHYLNAPHTHALENE
X
1-ETHYLNAPHTHALENE
X
2-ETHYLNAPHTHALENE
X
P-AMINODIPHENYLAMINE
X
HYDRAZOBENZENE
X
BENZIDINE
X
1,2,3-TRIMETHYLINDENE
X
DIETHYL-PHTHALATE
X
BIS-2-HYDROXYETHYL-TEREPHTHALATE X
CYCLOHEXYLBENZENE
X
P-TERT-BUTYLSTYRENE
X
4-ISOBUTYLSTYRENE
X
1,3,5-TRIETHYLBENZENE
X
M-DIISOPROPYLBENZENE
X
P-DIISOPROPYLBENZENE
X
N-HEXYLBENZENE
X
P-TERT-BUTYL-ETHYLBENZENE
X
1,5,9-CYCLODODECATRIENE
X
X
HEXAMETHYLBENZENE
X
X
M-DIISOPROPYL-BENZENE-HYDROPEROX X
P-DIISOPROPYLBENZ-HYDROPEROXIDE X
2-CYCLOHEXYL-CYCLOHEXANONE
X
DIBUTYL-MALEATE
X
BICYCLOHEXYL
X
SUCROSE
X
DICYCLOHEXYLAMINE
X
N-HEPTYLCYCLOPENTANE
X
1-DODECENE
X
CIS-2-DODECENE
X
TRANS-2-DODECENE
X
1-DODECANAL
X
N-DODECANOIC-ACID
X
N-DECYL-ACETATE
X
2,2,4-TM-1,3-PD-MONOISOBUTYNATE
X
N-DODECANE
X
3-METHYLUNDECANE
X
DIHEXYLETHER
X
DODECANOL
X
DIETHYLENE-GLYCOL-DI-N-BUTYL-ETH X
N-DODECYL-MERCAPTAN
X
TERT-DODECYL-MERCAPTAN
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C13
Pure Component
Databanks: C14
Alias
Name
P11 P10 P93 P856PCD
C12H27BO3
C12H27N
C12H27N-D0
C12H36SI5O4
C12H36SI6O6
C12H6N2O2
C12H8
C12H8O
C12H8O4
C12H8S
C12H9N
C12H9N3O4
TRI-N-BUTYL-BORATE
TRIBUTYLAMINE
DODECYLAMINE
DODECAMETHYLPENTASILOXANE
DODECAMETHYLCYCLOHEXASILOXANE
1,5-NAPHTHALENE-DIISOCYANATE
ACENAPHTHALENE
DIBENZOFURAN
2,6-NAPHTHALENEDICARBOXYLIC-ACID
DIBENZOTHIOPHENE
DIBENZOPYRROLE
4,4-DINITRODIPHENYLAMINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C13H10
C13H10O
C13H12
C13H14
C13H18O2
C13H20
C13H26-1
C13H26-2
C13H26O
C13H26O2
C13H26O2-D1
C13H26O2-D2
C13H28
C13H28O
C13H9N
FLUORENE
BENZOPHENONE
DIPHENYLMETHANE
1-N-PROPYLNAPHTHALENE
IBUPROFEN
N-HEPTYLBENZENE
N-OCTYLCYCLOPENTANE
1-TRIDECENE
1-TRIDECANAL
METHYL-DODECANOATE
N-BUTYL-NONANOATE
N-TRIDECANOIC-ACID
N-TRIDECANE
1-TRIDECANOL
ACRIDINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C14H10
C14H10-1
C14H10-2
C14H10O4
C14H12-D1
C14H12-D2
C14H12O2
C14H12O4
C14H14-D1
C14H14-D2
C14H14O
C14H16
DIPHENYLACETYLENE
ANTHRACENE
PHENANTHRENE
BENZOYL-PEROXIDE
CIS-STILBENE
TRANS-STILBENE
BENZYL-BENZOATE
DIMETHYL-2,6-NAPHTHALENEDICARBOX
1,1-DIPHENYLETHANE
1,2-DIPHENYLETHANE
DIBENZYL-ETHER
1-N-BUTYLNAPHTHALENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-57
X
X
Pure Component
Databanks: C15
Pure Component
Databanks: C16
1-58 Databanks
Alias
Name
P11 P10 P93 P856PCD
C14H16-D1
C14H18O4
C14H20
C14H22
C14H22-D1
C14H22-D2
C14H22O
C14H28-1
C14H28-2
C14H28O2
C14H30
C14H30O
C14H31N
C14H42SI6O5
C14H8O2
2,6-DIETHYLNAPHTHALENE
DIPROPYL-PHTHALATE
DIAMANTANE
N-OCTYLBENZENE
1,2,3,5-TETRAETHYLBENZENE
1,4-DI-TERT-BUTYLBENZENE
P-TERT-OCTYLPHENOL
N-NONYLCYCLOPENTANE
1-TETRADECENE
N-TETRADECANOIC-ACID
N-TETRADECANE
1-TETRADECANOL
TETRADECYLAMINE
TETRADECAMETHYLHEXASILOXANE
ANTHRAQUINONE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C15H10N2O2
C15H12
C15H16O
C15H16O2
C15H18
C15H24
C15H24O-D1
C15H24O-D2
C15H30-1
C15H30-2
C15H30O2
C15H32
C15H32O
C15H33N
DIPHENYLMETHANE-4,4-DIISOCYANATE
1-PHENYLINDENE
P-CUMYLPHENOL
BISPHENOL-A
1-N-PENTYLNAPHTHALENE
N-NONYLBENZENE
2,6-DI-TERT-BUTYL-P-CRESOL
NONYLPHENOL
N-DECYLCYCLOPENTANE
1-PENTADECENE
PENTADECANOIC-ACID
N-PENTADECANE
1-PENTADECANOL
TRIAMYLAMINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C16H10-D1
C16H10-D2
C16H12
C16H18
C16H20
C16H22O4
C16H22O4-D1
C16H24
C16H26
C16H26-D1
FLUORANTHENE
PYRENE
1-PHENYLNAPHTHALENE
1-4-ETHYLPHENYL-2-PHENYLETHANE
1-N-HEXYLNAPHTHALENE
DIBUTYL-O-PHTHALATE
DIISOBUTYL-PHTHALATE
1-N-HEXYL-1,2,3,4-TETRAHYDRONAPH
N-DECYLBENZENE
PENTAETHYLBENZENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C17
Pure Component
Databanks: C18
Alias
Name
P11 P10 P93 P856PCD
C16H32-1
C16H32-2
C16H32O2
C16H34
C16H34-D1
C16H34O
C16H34O-D1
C16H34S
C16H48SI7O6
N-DECYLCYCLOHEXANE
1-HEXADECENE
N-HEXADECANOIC-ACID
N-HEXADECANE
2,2,4,4,6,8,8-HEPTAMETHYLNONANE
1-HEXADECANOL
DI-N-OCTYL-ETHER
DI-N-OCTYL-SULFIDE
HEXADECAMETHYLHEPTASILOXANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C17H28
C17H34
C17H34-D1
C17H34O2
C17H34O2-D1
C17H36
C17H36O
N-UNDECYLBENZENE
N-DODECYLCYCLOPENTANE
1-HEPTADECENE
N-HEPTADECANOIC-ACID
ISOPROPYL-MYRISTATE
N-HEPTADECANE
HEPTADECANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C18H12
C18H12-D1
C18H12-D2
C18H13N3O4
C18H14-1
C18H14-2
C18H14-3
C18H15O4P
C18H15P
C18H15PO
C18H16N2
C18H20
C18H22
C18H22O2
C18H30
C18H30-D1
C18H30O2
C18H32O2
C18H34O2
C18H34O4-D1
C18H34O4-D2
C18H36-1
C18H36-2
CHRYSENE
BENZANTHRACENE
NAPHTHACENE
4,4-DINITROTRIPHENYLAMINE
O-TERPHENYL
M-TERPHENYL
P-TERPHENYL
TRIPHENYL-PHOSPHATE
TRIPHENYLPHOSPHINE
TRIPHENYLPHOSPHINE-OXIDE
N-N-DIPHENYL-P-PHENYLENEDIAMINE
2,4-DIPHENYL-4-METHYLPENTENE-1
2,3-DIMETHYL-2,3-DIPHENYLBUTANE
DICUMYLPEROXIDE
N-DODECYLBENZENE
HEXAETHYLBENZENE
LINOLENIC-ACID
LINOLEIC-ACID
OLEIC-ACID
DIBUTYL-SEBACATE
DIHEXYL-ADIPATE
1-OCTADECENE
N-TRIDECYLCYCLOPENTANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-59
X
X
Pure Component
Databanks: C19
Pure Component
Databanks: C20
1-60 Databanks
Alias
Name
P11 P10 P93 P856PCD
C18H36O2
C18H38
C18H38O
C18H38O-D0
C18H54SI8O7
STEARIC-ACID
N-OCTADECANE
1-OCTADECANOL
DINONYL-ETHER
OCTADECAMETHYLOCTA
SILOXANE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C19H16
C19H26
C19H32
C19H36O2
C19H38
C19H38-D1
C19H38O2
C19H40
C19H40O
TRIPHENYLMETHANE
1-N-NONYLNAPHTHALENE
N-TRIDECYLBENZENE
METHYL-OLEATE
N-TETRADECYLCYCLOPENTANE
1-NONADECENE
NONADECANOIC-ACID
N-NONADECANE
1-NONADECANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
C20H16
C20H18
C20H28
C20H28O2
C20H30O2
C20H30O2-D1
C20H30O4
C20H31N
C20H34
C20H37NAO7S
C20H38O2
C20H40
C20H40-D1
C20H40O2
C20H42
C20H42O
TRIPHENYLETHYLENE
1,1,2-TRIPHENYLETHANE
1-N-DECYLNAPHTHALENE
DEHYDROABIETIC-ACID
ABIETIC-ACID
NEOABIETIC-ACID
DI-N-HEXYL-PHTHALATE
DEHYDROABIETYLAMINE
N-TETRADECYLBENZENE
DIOCTYLSODIUM-SULFOSUCCINATE
CETYL-METHACRYLATE
N-PENTADECYLCYCLOPENTANE
1-EICOSENE
N-EICOSANIC-ACID
N-EICOSANE
1-EICOSANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: C21+
Alias
Name
P11 P10 P93 P856PCD
C21H21O4P
C21H36
C21H40O4
C21H42
C21H44
C22H34O4
C22H38
C22H42O4
C22H42O4-D1
C22H44O2
C22H46
C23H40
C23H48
C24H38O4
C24H38O4-D1
C24H38O4-D2
C24H42
C24H42O
C24H50
C24H51N
C25H20
C25H52
C26H20
C26H22
C26H42O4
C26H42O4-D1
C26H54
C27H46O
C27H56
C28H46O4
C28H46O4-D1
C28H58
C29H50O
C29H60
C30H48O6
C30H50O4
C30H62
C30H62-D1
C32H66
C36H74
C39H72O5
C57H104O6
TRI-O-CRESYL-PHOSPHATE
N-PENTADECYLBENZENE
MONOOLEIN
N-HEXADECYLCYCLOPENTANE
N-HENEICOSANE
DIHEPTYL-PHTHALATE
N-HEXADECYLBENZENE
DI-2-ETHYLHEXYL-ADIPATE
DIOCTYLADIPATE
N-BUTYL-STEARATE
N-DOCOSANE
N-HEPTADECYLBENZENE
N-TRICOSANE
DIOCTYL-PHTHALATE
DIISOOCTYL-PHTHALATE
DIOCTYL-TEREPHTHALATE
N-OCTADECYLBENZENE
DINONYLPHENOL
N-TETRACOSANE
TRI-N-OCTYLAMINE
TETRAPHENYLMETHANE
N-PENTACOSANE
TETRAPHENYLETHYLENE
1,1,2,2-TETRAPHENYLETHANE
DI-N-NONYL-PHTHALATE
DIISONONYL-PHTHALATE
N-HEXACOSANE
BETA-CHOLESTEROL
N-HEPTACOSANE
DIISODECYL-PHTHALATE
DI-N-DECYL-PHTHALATE
N-OCTACOSANE
SITOSTEROL
N-NONACOSANE
TRI-N-HEPTYL-TRIMELLITATE
DI-N-UNDECYL-PHTHALATE
N-TRIACONTANE
SQUALANE
N-DOTRIACONTANE
N-HEXATRIACONTANE
DIOLEIN
TRIOLEIN
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-61
Pure Component
Databanks: Ca
Pure Component
Databanks: Cl
Pure Component
Databanks: Fe
Pure Component
Databanks: H
1-62 Databanks
Alias
Name
P11 P10 P93 P856PCD
CA
CA(OH)2
CACL2
CACL2O2
CACO3
CAF2
CAO
CASO4
CALCIUM
CALCIUM-HYDROXIDE
CALCIUM-CHLORIDE
CALCIUM-HYPOCHLORITE
CALCIUM-CARBONATE-CALCITE
CALCIUM-FLUORIDE
CALCIUM-OXIDE
CALCIUM-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
CL2
CLH4NO
CLHO3S
CLO2
CLO3F
CHLORINE
HYDROXYLAMINE-HYDROCHLORIDE
CHLOROSULFONIC-ACID
CHLORINE-DIOXIDE
PERCHLORYL-FLUORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
FE
FE2O3
FECL2
FECL3
FEO
FESO4
IRON
HEMATITE
FERROUS-CHLORIDE
FERRIC-CHLORIDE
FERROUS-OXIDE
FERROUS-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
H2
H2-PARA
H2O
H2O2
H2S
H2SE
H2SO4
H3BO3
H3N
H3NO
H3NO3S
H3PO2
H3PO3
H3PO4
H4N2
HBR
HCL
HYDROGEN
HYDROGEN-PARA
WATER
HYDROGEN-PEROXIDE
HYDROGEN-SULFIDE
HYDROGEN-SELENIDE
SULFURIC-ACID
HYDROGEN-ORTHOBORATE
AMMONIA
HYDROXYLAMINE
SULFAMIC-ACID
HYPOPHOSPHOROUS-ACID
PHOSPHOROUS-ACID
ORTHOPHOSPHORIC-ACID
HYDRAZINE
HYDROGEN-BROMIDE
HYDROGEN-CHLORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: K
Pure Component
Databanks: N
Alias
Name
P11 P10 P93 P856PCD
HCLO
HCLO4
HF
HI
HNO2
HNO3
HNO5S
HYPOCHLOROUS-ACID
PERCHLORIC-ACID
HYDROGEN-FLUORIDE
HYDROGEN-IODIDE
NITROUS-ACID
NITRIC-ACID
NITROSYLSULFURIC-ACID
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
K
K2CO3
K2HPO4
KBR
KC2H3O2
KCL
KCLO3
KI
KOH
POTASSIUM
POTASSIUM-CARBONATE
DIPOTASSIUM-PHOSPHATE
POTASSIUM-BROMIDE
POTASSIUM-ACETATE
POTASSIUM-CHLORIDE
POTASSIUM-CHLORATE
POTASSIUM-IODIDE
POTASSIUM-HYDROXIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
N2
N2F4
N2O
N2O3
N2O4
N2O5
NCL3
NF3
NH4CL
NH4CLO4
NH4HSO4
NH4NO3
NH4OH
(NH4)2HPO4
(NH4)2SO3
(NH4)2SO4
NH5SO3
NH6PO4
NO
NO2
NOCL
NITROGEN
TETRAFLUOROHYDRAZINE
NITROUS-OXIDE
NITROGEN-TRIOXIDE
NITROGEN-TETROXIDE
NITROGEN-PENTOXIDE
NITROGEN-TRICHLORIDE
NITROGEN-TRIFLUORIDE
AMMONIUM-CHLORIDE
AMMONIUM-PERCHLORATE
AMMONIUM-BISULFATE
AMMONIUM-NITRATE
AMMONIUM-HYDROXIDE
DIAMMONIUM-PHOSPHATE
AMMONIUM-SULFITE
AMMONIUM-SULFATE
AMMONIUM-BISULFITE
AMMONIUM-PHOSPHATE
NITRIC-OXIDE
NITROGEN-DIOXIDE
NITROSYL-CHLORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-63
X
X
X
Pure Component
Databanks: Na
Pure Component
Databanks: O
1-64 Databanks
Alias
Name
P11 P10 P93 P856PCD
NA
NA2CO3
NA2CR2O7
NA2HPO4
NA2O2
NA2S
NA2S2O3
NA2S2O4
NA2SIO3
NA2SO4
NA3PO4
NA4P2O7
NA5P3O10
NA6P6O18
NABO3
NABR
NAC5H8NO4
NACHO2
NACL
NACLO
NACLO3
NACN
NAF
NAH2PO4
NAHCO3
NAHSO3
NAHSO4
NAI
NANH2
NANO2
NANO3
NAOH
SODIUM
SODIUM-CARBONATE
SODIUM-DICHROMATE
DISODIUM-PHOSPHATE
SODIUM-PEROXIDE
SODIUM-SULFIDE
SODIUM-THIOSULFATE
SODIUM-HYDROSULFITE
SODIUM-SILICATE
SODIUM-SULFATE
TRISODIUM-PHOSPHATE
TETRASODIUM-PYROPHOSPHATE
SODIUM-TRIPOLYPHOSPHATE
SODIUM-HEXAMETAPHOSPHATE
SODIUM-PERBORATE
SODIUM-BROMIDE
MONOSODIUM-GLUTAMATE
SODIUM-FORMATE
SODIUM-CHLORIDE
SODIUM-HYPOCHLORITE
SODIUM-CHLORATE
SODIUM-CYANIDE
SODIUM-FLUORIDE
MONOSODIUM-PHOSPHATE
SODIUM-BICARBONATE
SODIUM-BISULFITE
SODIUM-BISULFATE
SODIUM-IODIDE
SODIUM-AMIDE
SODIUM-NITRITE
SODIUM-NITRATE
SODIUM-HYDROXIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
O2
O2S
O3
O3S
OXYGEN
SULFUR-DIOXIDE
OZONE
SULFUR-TRIOXIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pure Component
Databanks: P
Pure Component
Databanks: S
Pure Component
Databanks: Si
Pure Component
Databanks: Other
Elements
Alias
Name
P11 P10 P93 P856PCD
P-R
P-W
P4O10
P4S10
PCL3
PCL5
PH3
POCL3
PSCL3
PHOSPHORUS-RED
PHOSPHORUS-WHITE
TETRAPHOSPHORUS-DECAOXIDE
PHOSPHORUS-PENTASULFIDE
PHOSPHORUS-TRICHLORIDE
PHOSPHORUS-PENTACHLORIDE
PHOSPHINE
PHOSPHORUS-OXYCHLORIDE
PHOSPHORUS-THIOCHLORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
S
SCL2
SF6
SO2CL2
SOCL2
SULFUR
SULFUR-DICHLORIDE
SULFUR-HEXAFLUORIDE
SULFURYL-CHLORIDE
THIONYL-CHLORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
SI
SI2H6
SIC
SICL4
SIF4
SIH2CL2
SIH4
SIHCL3
SIO2
SILICON
DISILANE
SILICON-CARBIDE
SILICON-TETRACHLORIDE
SILICON-TETRAFLUORIDE
DICHLOROSILANE
SILANE
TRICHLOROSILANE
SILICON-DIOXIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10 P93 P856PCD
AG
AIR
AR
AS
AS2O3
ASH3
BACO3
BE
BI
BR2
CRO3
CUCL
CUCL2
SILVER
AIR
ARGON
ARSENIC
ARSENIC-TRIOXIDE
ARSINE
BARIUM-CARBONATE
BERYLLIUM
BISMUTH
BROMINE
CHROMIUM-TRIOXIDE
CUPROUS-CHLORIDE
COPPER-DICHLORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-65
Pure Component
Databanks: Heating
Fluids
1-66 Databanks
Alias
Name
P11 P10 P93 P856PCD
CUSO4
D2
D2O
F2
FHO3S
GACL3
GE
GEH4
HE-3
HE-4
HG
I2
KR
LI
LIH2PO4
LII
MG(NO3)2
MGO
MGSO4
NE
SBCL3
SELEXOL
TICL3
TICL4
TIO2
V
VCL3O
VCL4
XE
ZN
ZNO
ZNSO4
COPPER-SULFATE
DEUTERIUM
DEUTERIUM-OXIDE
FLUORINE
FLUOROSULFONIC-ACID
GALLIUM-TRICHLORIDE
GERMANIUM
GERMANIUM-TETRAHYDRIDE
HELIUM-3
HELIUM-4
MERCURY
IODINE
KRYPTON
LITHIUM
MONOLITHIUM-PHOSPHATE
LITHIUM-IODIDE
MAGNESIUM-NITRATE
MAGNESIUM-OXIDE
MAGNESIUM-SULFATE
NEON
ANTIMONY-TRICHLORIDE
SELEXOL
TITANIUM-TRICHLORIDE
TITANIUM-TETRACHLORIDE
TITANIUM-DIOXIDE-RUTILE
VANADIUM
VANADIUM-OXYTRICHLORIDE
VANADIUM-TETRACHLORIDE
XENON
ZINC
ZINC-OXIDE
ZINC-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10
CACL2-15
CACL2-25
CALFLO-AF
CALFLO-HTF
CHEM550
DEGLY-20
DEGLY-40
DEGLY-60
DEGLY-80
DEPG
CALCIUM-CHLORIDE-15-WT-%
CALCIUM-CHLORIDE-25-WT%
CALFLO-AF
CALFLO-HTF
CHEMTHERM-550
DIETHLENE-GLYCOL-20-WT-%
DIETHYLENE-GLYCOL-40-WT-%
DIETHYLENE-GLYCOL-60-WT-%
DIETHLENE-GLYCOL-80-WT-%
DIMETHYL-ETHER-POLYETHYLENE-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
P11 P10
DOWA
DOWG
DOWJ
EGLY-20
EGLY-40
EGLY-60
MARLO-S
MBL603
MBL605
MBLLIGHT
PGLY-20
PGLY-60
R123
R502
R503
SHELL15
SHELL33
SYL-XLT
SYL800
SYN350
TEGLY-40
TEGLY-80
TEGLY-L
THERM44
THERM55
THERM550
THERM60
THERM600
THERM66
THERM77
THERM800
THERMFG1
THERMFR0
THERMFR1
THERMFR2
THERMFR3
THERMVP1
GLYC
DOWTHERM-A
DOWTHERM-G
DOWTHERM-J
ETHYLENE-GLYCOL-20-WT-%
MARLOTHERM-S
MOBILTHERM-603
MOBILTHERM-605
MOBILTHERM-LIGHT
PROPYLENE-GLYCOL-20-WT-%
PROPYLENE-GLYCOL-60-WT-%
REFRIGERANT-123
REFRIGERANT-502
REFRIGERANT-503
SHELL15
SHELL33
SYLTHERM-XLT
SYLTHERM-800
SYNTREL-350
TRIETHYLENE-GLYCOL-40-WT-%
TRIETHYLENE-GLYCOL-80-WT-%
TEGLY-L
THERMINOL-44
THERMINOL-55
THERMALANE-550-(FG-1)
THERMINOL-60
THERMALANE-600
THERMINOL-66
THERMINOL-77
THERMALANE-800
THERMFG1
THERMINOL-FR-0
THERMINOL-FR-1
THERMINOL-FR-2
THERMINOL-FR-3
THERMINOL-VP-1
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-67
Aqueous Component Databanks

The tables below list the components present in the aqueous
component databanks AQUEOUS and AQU92.
C1
Aqueous Component
Databank Parameters
C2
C3
C4
C5
C6
C7
C8
C9
C10
C11+ Ag
Al
Au
Ba
Br
Ca
Cd
Ce
Cl
Co
Cr
Cs
Cu
Dy
Er
Eu
Fe
Ga
Gd
Ge
Hg
Ho
In
La
Li
Lu
Mg
Mn
Na
Nd
Ni
Pb
Pd
Pr
Pt
Rb
Sc
Sm
Sn
Sr
Tb
Th
Tl
Tm
Yb
Zn
Zr
Other
The AQUEOUS and AQU92 databanks have data for the

following parameters:
Parameter Name
Description
ATOMNO
Vector containing the atom types (atomic

numbers) for a given molecule (e.g., H=1, C=6,
O=8). Must use the vector NOATOM to define
the number of occurrences of each atom.
Ionic charge
Aqueous phase heat capacity at infinite dilution
Aqueous free energy of formation at infinite
dilution
Standard free energy of formation
Aqueous heat of formation at infinite dilution
Standard heat of formation
Bromley-Pitzer model ion-specific B parameter
Bromley-Pitzer model ion-specific delta
parameter
Criss-Cobble ion type
Molecular weight
Vector containing the number of occurrences of
each atom defined in ATOMNO for a given
molecule. ATOMNO and NOATOM define the
Antoine liquid vapor pressure coefficients
Pauling ion radius
CHARGE
CPAQ0
CPIG
DGAQFM
DGFORM
DHAQFM
DHFORM
GMBPB
GMBPD
IONTYP
MW
NOATOM
PLXANT
PRADII
1-68 Databanks
Parameter Name
Description
S025C
VLBROC
Criss-Cobble absolute entropy at 25C

Partial molal volume at infinite dilution
AQ = AQUEOUS Databank
AQ9 = AQ92 Databank
Aqueous Component
Databanks: Ag
Alias
Name
AQ AQ9
AG(C2H4NO2)
AG(C2H6NH)2+
AG(CH3CO2)2AG(CH3NH2)2+
AG(CN)2AG(CN)OHAG(CO3)AG(CO3)2-3
AG(NH3)+
AG(NH3)2+
AG(NH3)2BR
AG(NH3)2CL
AG(NO2)2AG(OH)2AG(S2O3)2-3
AG(SCN)2AG(SCN)3-2
AG(SCN)4-3
AG+
AG+2
AG2(CH3CO2)+
AG2SO3
AGBR
AGBR2AGBR3-2
AGC2H4+
AGCH3CO2
AGCL
AGCL2AGCL3-2
AGCL3BR-3
AGCL4-3
AGCLBR3-3
AGF
AGI
AGI2AGI3-2
AGI4-3
AG(NH2CH2COO)
AG(C2H6NH)2+
AG(CH3COO)2AG(CH3NH2)2+
AG(CN)2AG(CN)OHAG(CO3)AG(CO3)2--AG(NH3)+
AG(NH3)2+
AG(NH3)2BR
AG(NH3)2CL
AG(NO2)2AG(OH)2AG(S2O3)2--AG(CNS)2AG(CNS)3-AG(CNS)4--AG+
AG++
AG2(CH3COO)+
AG2SO3
SILVER-BROMIDE
AGBR2AGBR3-AGC2H4+
SILVER-ACETATE
SILVER-CHLORIDE
AGCL2AGCL3-AGBRCL3--AGCL4--AGBR3CL--SILVER-FLUORIDE
SILVER-IODIDE
AGI2AGI3-AGI4---
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-69
Aqueous Component
Databanks: Al
Aqueous Component
Databanks: Au
1-70 Databanks
Alias
Name
AQ AQ9
AGNO3
AGOH
AGSCN
AGSO3AGSO4-
SILVER-NITRATE
SILVER-HYDROXIDE
SILVER-THIOCYANATE
AGSO3AGSO4-
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
AL(AC)+2
AL(AC)2+
AL(OH)2+
AL(OH)4AL(SO4)2AL+3
ALF+2
ALF2+
ALF3
ALF4ALF5-2
ALF6-3
ALO2ALOH+2
ALSO4+
ALCH3COO+2
AL(CH3COO)2+
AL(OH)2+
AL(OH)4AL(SO4)2AL+++
ALF++
ALF2+
ALUMINIUM-FLUORIDE
ALF4ALF5-ALF6--ALO2ALOH++
ALSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
AU(AC)
AU(AC)2AU(CN)2AU(OH)3
AU(SCN)2AU(SCN)4AU(SCN)5-2
AU(SCN)6-3
AU+
AU+3
AUBR2AUBR4AUCL2AUCL4AUO3-3
AUCH3COO
AU(CH3COO)2AU(CN)2GOLD-HYDROXIDE
AU(CNS)2AU(CNS)4AU(CNS)5-2
AU(CNS)6-3
AU+
AU+++
AUBR2AUBR4AUCL2AUCL4AUO3---
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: B
Aqueous Component
Databanks: Ba
Aqueous Component
Databanks: Br
Alias
Name
AQ AQ9
B(OH)4B4O7-2
BF2(OH)2BF3OHBF4BH4BO2-
B(OH)4B4O7-BF2(OH)2BF3OHBF4BH4BO2-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
BA(AC)+
BA(AC)2
BA(ALA)+
BA(ALA)2
BA(BUT)+
BA(BUT)2
BA(FOR)+
BA(FOR)2
BA(GLY)+
BA(GLY)2
BA(GLYC)+
BA(GLYC)2
BA(LAC)+
BA(LAC)2
BA(PENT)+
BA(PENT)2
BA(PROP)+
BA(PROP)2
BA+2
BACL+
BACO3
BAF+
BANO3+
BAOH+
BACH3COO+
BA(CH3COO)2
BA(C3H6NO2)+
BA(C3H6NO2)2
BACH3(CH2)2CO2+
BA(CH3CH2CH2CO2)2
BACHO2+
BA(CHO2)2
BA(C2H4NO2)+
BA(C2H4NO2)2
BACH3OCO2+
BA(CH3OCO2)2
BACH3CH2OCO2+
BA(CH3CH2OCO2)2
BACH3(CH2)3CO2+
BA(CH3CH2CH2CH2CO2)2
BACH3CH2CO2+
BA(CH3CH2CO2)2
BA++
BACL+
BARIUM-CARBONATE
BAF+
BANO3+
BA(OH)+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
BRBR2
BR2CLBR3BR5BRI2BROBRO3-
BRBROMINE
BR2CLBR3BR5BRI2BROBRO3-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-71
Aqueous Component
Databanks: C1
Aqueous Component
Databanks: C2
1-72 Databanks
Alias
Name
AQ AQ9
BRO4-
BRO4-
Alias
Name
AQ AQ9
CH2O
CH2O2
(CH3)2NH2+
(CH3)3NH+
CH3CL
CH3COOCH3NH3+
CH3NH3OH
CH4
CH4N2O
CH4O
CH5N
CH5N3O
CHN
CHO2CNSCNCO
CO2
CO3-2
FORMALDEHYDE
FORMIC-ACID
(CH3)2NH2+
(CH3)3NH+
METHYL-CHLORIDE
CH3COOCH3NH3+
CH3NH3OH
METHANE
UREA
METHANOL
METHYL-AMINE
NH2CONHNH2
HYDROGEN-CYANIDE
HCOOCNCNSCARBON-MONOXIDE
CARBON-DIOXIDE
CO3--
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C2H2
C2H2O4
C2H3O3C2H4
C2H4O-1
C2H4O2-1
C2H4O3-D1
C2H5COOC2H5NO-D1
C2H5NO2-D1
C2H5OC2H6
C2H6NSO3C2H6O-2
C2H7N-1
C2H7N-2
C2H7NSO3
C2H8NO+
ACETYLENE
OXALIC-ACID
GLYCOLATE
ETHYLENE
ACETALDEHYDE
ACETIC-ACID
GLYCOLIC-ACID
PROPANOATE
ACETAMIDE
GLYCINE
CH3CH2OETHANE
NH2(CH2)2SO3ETHANOL
ETHYL-AMINE
DIMETHYLAMINE
NH2(CH2)2SO3H
MEA+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: C3
Aqueous Component
Databanks: C4
Alias
Name
AQ AQ9
C2H9NO
C2O4-2
(CH3)2NH2OH
C2O4--
X
X
X
X
Alias
Name
AQ AQ9
C3H11NO
C3H2O4-2
C3H3O4C3H4-2
C3H4O4
C3H5O3C3H6-2
C3H6NO3C3H6O-1
C3H6O-3
C3H6O2-1
C3H6O3-D1
C3H7COOC3H7NO2
C3H7NO3
C3H8
C3H8O-1
C3H9N-1
C3H9N-3
(CH3)3NHOH
MALONATE
H-MALONATE
METHYL-ACETYLENE
MALONIC-ACID
LACTATE
PROPYLENE
MEACOOACETONE
N-PROPIONALDEHYDE
PROPIONIC-ACID
LACTIC-ACID
BUTANOATE
ALANINE
SERINE
PROPANE
1-PROPANOL
N-PROPYL-AMINE
TRIMETHYL-AMINE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C4H10-1
C4H10O-1
C4H11N-1
C4H11NO-1
C4H12NO+
C4H12NO2+
C4H12NOO+
C4H4O4-2
C4H5O4C4H6-1
C4H6N2O2
C4H6O4-2
C4H7NO4
C4H7O3C4H8-1
C4H8N2O3-A
C4H8N2O3-D
C4H8O-1
N-BUTANE
N-BUTANOL
N-BUTYL-AMINE
2-AMINO-2-METHYL-1-PROPANOL
AMP+
DEA+
DGA+
SUCCINATE
H-SUCCINATE
1-BUTYNE
DIKETOPIPERAZINE
SUCCINIC-ACID
ASPARTIC-ACID
2-HYDROXYBUTANOATE
1-BUTENE
ASPARAGINE
DIGLYCINE
N-BUTYRALDEHYDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-73
Aqueous Component
Databanks: C5
Aqueous Component
Databanks: C6
1-74 Databanks
Alias
Name
AQ AQ9
C4H8O-2
C4H8O2-1
C4H8O2-3
C4H8O3-1
C4H9COOC4H9NO2
C4H9NO3
ISOBUTYRALDEHYDE
N-BUTYRIC-ACID
ETHYL-ACETATE
2-HYDROXYBUTANOIC-ACID
PENTANOATE
A-AMINOBUTYRIC
THREONINE
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C5H10-2
C5H10N2O3-A
C5H10N2O3-G
C5H10NO4C5H10NOO3C5H10O-1
C5H10O-2
C5H10O2
C5H10O3
C5H11COOC5H11NO2
C5H11NO2S
C5H12-1
C5H12O-1
C5H13N
C5H14NO2+
C5H6O4-2
C5H7O4C5H8-5
C5H8O4
C5H9NO4
C5H9O3-
1-PENTENE
ALANYLGLYCINE
GLUTAMINE
DEACOODGACOOVALERALDEHYDE
METHYL-N-PROPYL-KETONE
NEOPENTANOIC-ACID
2-HYDROXYPENTANOIC-ACID
HEXANOATE
VALINE
METHIONINE
N-PENTANE
1-PENTANOL
N-PENTYLAMINE
MDEA+
GLUTARATE
H-GLUTARATE
1-PENTYNE
GLUTARIC-ACID
L-GLUTAMIC-ACID
2-HYDROXYPENTANOATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C6H10-E2
C6H10O4-D1
C6H11O3C6H12-3
C6H12O-D2
C6H12O-D3
C6H12O2-D5
C6H12O3-E1
C6H13COOC6H13NO2
1-HEXYNE
ADIPIC-ACID
2-HYDROXYHEXANOATE
1-HEXENE
1-HEXANAL
2-HEXANONE
N-HEXANOIC-ACID
HYDROXYCAPROIC-ACID
HEPTANOATE
LEUCINE
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: C7
Aqueous Component
Databanks: C8
Alias
Name
AQ AQ9
C6H13NO2-I
C6H14-1
C6H14O-1
C6H15N-D2
C6H6
C6H6O
C6H8O4-2
C6H9O4-
ISOLEUCINE
N-HEXANE
1-HEXANOL
N-HEXYLAMINE
BENZENE
PHENOL
ADIPATE
H-ADIPATE
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C7H10O4-2
C7H11O4C7H12-D1
C7H12O4-D1
C7H13O3C7H14-7
C7H14O-D1
C7H14O-D2
C7H14O2-D3
C7H14O3-1
C7H15COOC7H16-1
C7H16O
C7H17N
C7H5O2C7H6O2
C7H8
PIMELATE
H-PIMELATE
1-HEPTYNE
PIMELIC-ACID
2-HYDROXYHEPTANOATE
1-HEPTENE
1-HEPTANAL
2-HEPTANONE
N-HEPTANOIC-ACID
2-HYDROXYHEPTANOIC-ACID
OCTANOATE
N-HEPTANE
1-HEPTANOL
1-AMINOHEPTANE
BENZOATE
BENZOIC-ACID
TOLUENE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C8H10-4
C8H12O4-2
C8H13O4C8H14-D1
C8H14O4-D1
C8H15O3C8H16-16
C8H16N2O3
C8H16O-E1
C8H16O-E2
C8H16O2-D3
C8H16O3-1
C8H18-1
C8H18O-1
ETHYLBENZENE
SUBERATE
H-SUBERATE
1-OCTYNE
SUBERIC-ACID
2-HYDROXYOCTANOATE
1-OCTENE
LEUCYLGLYCINE
1-OCTANAL
2-OCTANONE
N-OCTANOIC-ACID
2-HYDROXYOCTANOIC-ACID
N-OCTANE
1-OCTANOL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-75
Aqueous Component
Databanks: C9
Aqueous Component
Databanks: C10
Aqueous Component
Databanks: C11+
1-76 Databanks
Alias
Name
AQ AQ9
C8H19N-D0
M-C8H7O2O-C8H7O2P-C8H7O2C8H8O2-D1
C8H8O2-D2
C8H8O2-M
N-OCTYLAMINE
M-TOLUATE
O-TOLUATE
P-TOLUATE
O-TOLUIC-ACID
P-TOLUIC-ACID
M-TOLUIC-ACID
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C9H11NO2
C9H11NO3
C9H12-1
C9H14O4-2
C9H15O4C9H16O4
C9H17O2C9H17O3C9H18O
C9H18O2
C9H18O3-1
L-PHENYLALANINE
TYROSINE
N-PROPYLBENZENE
AZELATE
H-AZELATE
AZELAIC-ACID
NONANOATE
2-HYDROXYNONANOATE
1-NONANAL
N-NONANOIC-ACID
2-HYDROXYNONANOIC-ACID
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C10H14-1
C10H16O4-2
C10H17O4C10H18O4
C10H19O2C10H19O3C10H20O
C10H20O2-D1
C10H20O3
N-BUTYLBENZENE
SEBACATE
H-SEBACATE
SEBACIC-ACID
DECANOATE
2-HYDROXYDECANOATE
1-DECANAL
N-DECANOIC-ACID
2-HYDROXYDECANOIC-ACID
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
C11H12N2O2
C11H16
C11H21O2C11H22O2-D3
C12H18-D3
C12H23O2C12H24O2
C13H20
C14H22
TRYPTOPHAN
N-PENTYLBENZENE
UNDECANOATE
N-UNDECANOIC-ACID
N-HEXYLBENZENE
DODECANOATE
N-DODECANOIC-ACID
N-HEPTYLBENZENE
N-OCTYLBENZENE
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Ca
Aqueous Component
Databanks: Cd
Alias
Name
AQ AQ9
CA(AC)2
CA(ALA)+
CA(ALA)2
CA(BUT)+
CA(BUT)2
CA(FOR)+
CA(FOR)2
CA(GLY)+
CA(GLY)2
CA(GLYC)+
CA(GLYC)2
CA(HCO3)+
CA(LAC)+
CA(LAC)2
CA(PENT)+
CA(PENT)2
CA(PROP)+
CA(PROP)2
CA+2
CACH3CO2+
CACL+
CACL2
CACO3
CAF+
CAOH+
CASO4
CA(CH3COO)2
CA(C3H6NO2)+
CA(C3H6NO2)2
CACH3(CH2)2CO2+
CA(CH3CH2CH2CO2)2
CACHO2+
CA(CHO2)2
CA(C2H4NO2)+
CA(C2H4NO2)2
CACH3OCO2+
CA(CH3OCO2)2
CA(HCO3)+
CACH3CH2OCO2+
CA(CH3CH2OCO2)2
CACH3(CH2)3CO2+
CA(CH3CH2CH2CH2CO2)2
CACH3CH2CO2+
CA(CH3CH2CO2)2
CA++
CACH3CO2+
CACL+
CALCIUM-CHLORIDE
CAF+
CAOH+
CALCIUM-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
CD(AC)+
CD(AC)2
CD(AC)3CD(ALA)+
CD(ALA)2
CD(BUT)+
CD(BUT)2
CD(CH5N)2+2
CD(CH5N)4+2
CD(CN)4-2
CD(FOR)+
CD(FOR)2
CD(GLY)+
CD(GLY)2
CD(GLYC)+
CD(GLYC)2
CDCH3COO+
CD(CH3COO)2
CD(CH3COO)3CD(C3H6NO2)+
CD(C3H6NO2)2
CDCH3(CH2)2CO2+
CD(CH3CH2CH2CO2)2
CD(NH2CH3)2++
CD(NH2CH3)4++
CD(CN)4-CDCHO2+
CD(CHO2)2
CD(C2H4NO2)+
CD(C2H4NO2)2
CDCH3OCO2+
CD(CH3OCO2)2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-77
Aqueous Component
Databanks: Ce
1-78 Databanks
Alias
Name
AQ AQ9
CD(LAC)+
CD(LAC)2
CD(NH3)2+2
CD(NH3)4+2
CD(PENT)+
CD(PENT)2
CD(PROP)+
CD(PROP)2
CD+2
CDBR+
CDCL+
CDCL2
CDCL3CDI+
CDI3CDI4-2
CDCH3CH2OCO2+
CD(CH3CH2OCO2)2
CD(NH3)2++
CD(NH3)4++
CDCH3(CH2)3CO2+
CD(CH3CH2CH2CH2CO2)2
CDCH3CH2CO2+
CD(CH3CH2CO2)2
CD++
CDBR+
CDCL+
CADMIUM-CHLORIDE
CDCL3CDI+
CDI3CDI4--
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
CE(CH3CO2)2+
CE(CH3CO2)3
CE(SO4)2CE+3
CE+4
CEBR+2
CECH3CO2+2
CECL+2
CECL2+
CECL3-AQ
CECL4CECLO4+2
CECO3+
CEF+2
CEF2+
CEF3-AQ
CEF4CEH2PO4+2
CEHCO3+2
CEIO3+2
CENO3+2
CEO+
CEO2CEO2H
CEOH+2
CEOH+3
CE(CH3CO2)2+
CERIUM-TRIACETATE
CE(SO4)2CE+++
CE++++
CEBR+2
CECH3CO2++
CECL++
CECL2+
CERIUM-CHLORIDE,AQ
CECL4CECLO4++
CECO3+
CEF+2
CEF2+
CERIUM-FLUORIDE,AQ
CEF4CEH2PO4+2
CEHCO3+2
CEIO3+2
CENO3+2
CEO+
CEO2CEO2H,AQ
CEOH+2
CEOH+++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Cl
Aqueous Component
Databanks: Co
Alias
Name
AQ AQ9
CESO4+
CESO4+
Alias
Name
AQ AQ9
CLCL2
CL2O
CL3CLOCLO2
CLO2CLO3CLO4-
CLCHLORINE
DICHLORINE-MONOXIDE
CL3CLOCHLORINE-DIOXIDE
CLO2CLO3CLO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
COC2O4
CO(AC)+
CO(AC)2
CO(AC)3CO(ALA)+
CO(ALA)2
CO(BUT)+
CO(BUT)2
CO(C2H4NO2)2
CO(C2O4)2-2
CO(FOR)+
CO(FOR)2
CO(GLYC)+
CO(GLYC)2
CO(LAC)+
CO(LAC)2
CO(NH3)+2
CO(NH3)5CL+2
CO(NH3)5NO2
CO(NH3)6+3
CO(NH3)6BR+2
CO(NH3)6CL+2
CO(NH3)6I+2
CO(NH3)6N3+2
CO(NH3)6SO4+
CO(PENT)+
CO(PENT)2
CO(PROP)+
CO(PROP)2
COBALT-OXALATE
COCH3COO+
CO(CH3COO)2
CO(CH3COO)3CO(C3H6NO2)+
CO(C3H6NO2)2
COCH3(CH2)2CO2+
CO(CH3CH2CH2CO2)2
CO(NH2CH2COO)2
CO(C2O4)2-COCHO2+
CO(CHO2)2
COCH3OCO2+
CO(CH3OCO2)2
COCH3CH2OCO2+
CO(CH3CH2OCO2)2
CO(NH3)++
CO(NH3)5CL++
CO(NH3)5NO2++
CO(NH3)6+3
CO(NH3)6BR++
CO(NH3)6CL++
CO(NH3)6I++
CO(NH3)6N3++
CO(NH3)6SO4+
COCH3(CH2)3CO2+
CO(CH3CH2CH2CH2CO2)2
COCH3CH2CO2+
CO(CH3CH2CO2)2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-79
Aqueous Component
Databanks: Cr
Aqueous Component
Databanks: Cs
Aqueous Component
Databanks: Cu
1-80 Databanks
Alias
Name
AQ AQ9
CO+2
CO+3
COC2H4NO2+
COCL+
CO++
CO+++
CONH2CH2COO+
COCL+
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
CR+2
CR+3
CR2O7-2
CRCL2+
CRO4-2
CROH+2
CR++
CR+++
CR2O7-CRCL2+
CRO4-CROH++
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
CS(AC)
CS(AC)2CS+
CSBR
CSCL
CSI
CSCH3COO
CS(CH3COO)2CS+
CESIUM-BROMIDE
CESIUM-CHLORIDE
CESIUM-IODIDE
X
X
X
X
X
X
Alias
Name
AQ AQ9
CU(AC)
CU(AC)2CU(AC)3CU(ALA)+
CU(ALA)2
CU(BUT)+
CU(BUT)2
CU(C2H4NO2)+
CU(C2H4NO2)2
CU(C2O4)2-2
CU(CH3CO2)2
CU(CN)2CU(CN)3-2
CU(CN)4-3
CU(GLYC)+
CU(GLYC)2
CU(LAC)+
CU(LAC)2
CU(NH3)+2
CU(NH3)2+2
CUCH3COO
CU(CH3COO)2CU(CH3COO)3CU(C3H6NO2)+
CU(C3H6NO2)2
CUCH3(CH2)2CO2+
CU(CH3CH2CH2CO2)2
CU(NH2CH2COO)+
CU(NH2CH2COO)2
CU(C2O4)2-COPPER-DIACETATE
CU(CN)2CU(CN)3-CU(CN)4--CUCH3OCO2+
CU(CH3OCO2)2
CUCH3CH2OCO2+
CU(CH3CH2OCO2)2
CU(NH3)++
CU(NH3)2++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Dy
Alias
Name
AQ AQ9
CU(NH3)3+2
CU(NH3)4+2
CU(NH3)5+2
CU(P2O7)2-6
CU(PENT)+
CU(PENT)2
CU(PROP)+
CU(PROP)2
CU(SCN)2
CU(SCN)4-3
CU(SO3)2-3
CU(SO3)3-5
CU+
CU+2
CUBR+
CUC2H2O4
CUC2O4
CUCH3CO2+
CUCHO2+
CUCL+
CUCL2
CUCL2CUCL3-2
CUF+
CUN2H6P2O7-2
CUO2-2
CUP2O7-2
CUSCN+
CUSO3CUSO4
CU(NH3)3++
CU(NH3)4++
CU(NH3)5++
CU(P2O7)2-6
CUCH3(CH2)3CO2+
CU(CH3CH2CH2CH2CO2)2
CUCH3CH2CO2+
CU(CH3CH2CO2)2
COPPER-THIOCYANATE
CU(CNS)4-3
CU(SO3)2--CU(SO3)3-5
CU+
CU++
CUBR+
CU(CHO2)2
COPPER-OXALATE
CUCH3COO+
CUHCOO+
CUCL+
COPPER-DICHLORIDE
CUCL2CUCL3-CUF+
CU(NH3)2P2O7-2
CUO2-CUP2O7-CUCNS+
CUSO3COPPER-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
DY(CH3CO2)2+
DY(CH3CO2)3
DY(SO4)2DY+3
DYCH3CO2+2
DYCL+2
DYCL2+
DYCL3-AQ
DYCL4DYCO3+
DYF+2
DYF2+
DY(CH3CO2)2+
DYSPROSIUM-TRIACETATE
DY(SO4)2DY+3
DYCH3CO2++
DYCL+2
DYCL2+
DYSPROSIUM-CHLORIDE,AQ
DYCL4DYCO3+
DYF+2
DYF2+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-81
Aqueous Component
Databanks: Er
Aqueous Component
Databanks: Eu
1-82 Databanks
Alias
Name
AQ AQ9
DYF3-AQ
DYF4DYH2PO4+2
DYHCO3+2
DYNO3+2
DYO+
DYO2DYO2H
DYOH+2
DYSO4+
DYSPROSIUM-FLUORIDE,AQ
DYF4DYH2PO4+2
DYHCO3+2
DYNO3+2
DYO+
DYO2DYO2H,AQ
DYOH+2
DYSO4+
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
ER(CH3CO2)2+
ER(CH3CO2)3
ER(SO4)2ER+3
ERCH3CO2+2
ERCL+2
ERCL2+
ERCL3-AQ
ERCL4ERCO3+
ERF+2
ERF2+
ERF3-AQ
ERF4ERH2PO4+2
ERHCO3+2
ERNO3+2
ERO+
ERO2ERO2H
EROH+2
ERSO4+
ER(CH3CO2)2+
ERBIUM-TRIACETATE
ER(SO4)2ER+3
ERCH3CO2++
ERCL+2
ERCL2+
ERBIUM-CHLORIDE,AQ
ERCL4ERCO3+
ERF+2
ERF2+
ERBIUM-FLUORIDE,AQ
ERF4ERH2PO4+2
ERHCO3+2
ERNO3+2
ERO+
ERO2ERO2H,AQ
EROH+2
ERSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
EU(AC)+2
EU(AC)2+
EU(AC)3
EU(ALA)+
EU(ALA)2
EU(BUT)+
EU(BUT)+2
EUCH3COO+2
EU(CH3COO)2+
EU(CH3COO)3
EU(C3H6NO2)+
EU(C3H6NO2)2
EUCH3(CH2)2CO2+
EUCH3(CH2)2CO2+2
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
EU(BUT)2
EU(BUT)2+
EU(FOR)+
EU(FOR)+2
EU(FOR)2
EU(FOR)2+
EU(GLY)+
EU(GLY)2
EU(GLYC)+
EU(GLYC)2
EU(LAC)+
EU(LAC)2
EU(PENT)+
EU(PENT)+2
EU(PENT)2+
EU(PROP)+
EU(PROP)+2
EU(PROP)2
EU(PROP)2+
EU(SO4)2EU+2
EU+3
EUCL+
EUCL+2
EUCL2+
EUCL2-AQ
EUCL3EUCL3-AQ
EUCL4EUCL4-2
EUCO3+
EUF+
EUF+2
EUF2
EUF2+
EUF3EUF3-AQ
EUF4EUF4-2
EUH2PO4+2
EUHCO3+2
EUNO3+2
EUO+
EUO2EUO2H
EU(CH3CH2CH2CO2)2
EU(CH3CH2CH2CO2)2+
EUCHO2+
EUCHO2+2
EU(CHO2)2
EU(CHO2)2+
EU(C2H4NO2)+
EU(C2H4NO2)2
EUCH3OCO2+
EU(CH3OCO2)2
EU(CH3CH2OCO2)+
EU(CH3CH2OCO2)2
EUCH3(CH2)3CO2+
EUCH3(CH2)3CO2+2
EU(CH3CH2CH2CH2CO2)2+
EUCH3CH2CO2+
EUCH3CH2CO2+2
EU(CH3CH2CO2)2
EU(CH3CH2CO2)2+
EU(SO4)2EU+2
EU+3
EUCL+
EUCL++
EUCL2+
EUCL2,AQ
EUCL3EUROPIUM-CHLORIDE,AQ
EUCL4EUCL4-2
EUCO3+
EUF+
EUF+2
EUF2,AQ
EUF2+
EUF3EUROPIUM-FLUORIDE,AQ
EUF4EUF4-2
EUH2PO4+2
EUHCO3+2
EUNO3+2
EUO+
EUO2EUO2H,AQ
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-83
Aqueous Component
Databanks: Fe
1-84 Databanks
Alias
Name
AQ AQ9
EUOH+2
EUSO4+
EUOH+2
EUSO4+
X
X
Alias
Name
AQ AQ9
FE(ALA)+
FE(ALA)2
FE(BUT)+
FE(BUT)2
FE(CH3COO)+
FE(CH3COO)2
FE(CN)6-3
FE(CN)6-4
FE(FOR)+
FE(FOR)2
FE(GLY)+
FE(GLY)2
FE(GLYC)+
FE(GLYC)2
FE(LAC)+
FE(LAC)2
FE(OH)2+
FE(OH)3
FE(OH)3FE(OH)4-2
FE(PENT)+
FE(PENT)2
FE(PROP)+
FE(PROP)2
FE(SO4)2FE+2
FE+3
FE2(OH)2+4
FEBR+2
FECL+
FECL+2
FECL2
FECL2+
FECL3
FECLO4+2
FEF+2
FEF2+
FEHPO4+
FEI+2
FEN3+2
FE(C3H6NO2)+
FE(C3H6NO2)2
FECH3(CH2)2CO2+
FE(CH3CH2CH2CO2)2
FE(CH3COO)+
FE(CH3COO)2
FE(CN)6-3
FE(CN)6-4
FECHO2+
FE(CHO2)2
FE(C2H4NO2)+
FE(C2H4NO2)2
FECH3OCO2+
FE(CH3OCO2)2
FECH3CH2OCO2+
FE(CH3CH2OCO2)2
FE(OH)2+
IRON-TRIHYDROXIDE
FE(OH)3FE(OH)4-FECH3(CH2)3CO2+
FE(CH3CH2CH2CH2CO2)2
FECH3CH2CO2+
FE(CH3CH2CO2)2
FE(SO4)2FE++
FE+++
FE2(OH)2+4
FEBR++
FECL+
FECL++
FERROUS-CHLORIDE
FECL2+
FERRIC-CHLORIDE
FECLO4++
FEF++
FEF2+
FEHPO4+
FEI++
FEN3++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Ga
Aqueous Component
Databanks: Gd
Alias
Name
AQ AQ9
FENO+2
FENO3+2
FEO2-2
FEOH+
FEOH+2
FESCN+2
FESO4+
FENO++
FENO3++
FEO2-FEOH+
FEOH++
FESCN++
FESO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
GA+3
GABR4GAF+2
GAF2+
GA+3
GABR4GAF++
GAF2+
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
GD(BUT)+2
GD(BUT)2+
GD(CH3CO2)2+
GD(CH3CO2)3
GD(FOR)+2
GD(FOR)2+
GD(PENT)+2
GD(PENT)2+
GD(PROP)+2
GD(PROP)2+
GD(SO4)2GD+3
GDCH3CO2+2
GDCL+2
GDCL2+
GDCL3-AQ
GDCL4GDCO3+
GDF+2
GDF2+
GDF3-AQ
GDF4GDH2PO4+2
GDHCO3+2
GDNO3+2
GDO+
GDO2GDO2H
GDCH3(CH2)2CO2+2
GD(CH3CH2CH2CO2)2+
GD(CH3CO2)2+
GADOLINIUM-TRIACETATE
GDCHO2+2
GD(CHO2)2+
GDCH3(CH2)3CO2+2
GD(CH3CH2CH2CH2CO2)2+
GDCH3CH2CO2+2
GD(CH3CH2CO2)2+
GD(SO4)2GD+3
GDCH3CO2++
GDCL+2
GDCL2+
GADOLINIUM-CHLORIDE,AQ
GDCL4GDCO3+
GDF+2
GDF2+
GADOLINIUM-FLUORIDE,AQ
GDF4GDH2PO4+2
GDHCO3+2
GDNO3+2
GDO+
GDO2GDO2H,AQ
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-85
Aqueous Component
Databanks: Ge
Aqueous Component
Databanks: H
1-86 Databanks
Alias
Name
AQ AQ9
GDOH+2
GDSO4+
GDOH+2
GDSO4+
X
X
Alias
Name
AQ AQ9
GE(OH)2+2
GE(OH)3+
GE(OH)4
GE(OH)5GE(OH)6-2
GE+2
GE+4
GEF4OHGEF5GEF6-2
GEOH+3
GE(OH)2++
GE(OH)3+
GERMANIUM-TETRAHYDROXIDE
GE(OH)5GE(OH)6-GE++
GE+4
GEF4OHGEF5GEF6-GE(OH)+++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
H+
H2
H2+
H2ASO3H2ASO4H2AUO3H2B4O7
H2CO3
H2FE(CN)6-2
H2O2
H2OI+
H2P2O7-2
H2PBO2
H2PO3F
H2PO4H2S
H2S2O4
H2S2O8
H2SE
H2SEO3
H2SIO3
H2SIO4-2
H2SO3
H2SO4
H2TEO3
H2VO4-
H+
HYDROGEN
H2+
H2ASO3H2ASO4H2AUO3HYDROGEN-TETRABORATE
CARBONIC-ACID
H2FE(CN)6-HYDROGEN-PEROXIDE
H2OI+
H2P2O7-H2PBO2
H2PO3F
H2PO4HYDROGEN-SULFIDE
H2S2O4
HYDROGEN-PEROXODISULFIDE
HYDROGEN-SELENIDE
SELENIOUS-ACID
METASILICIC-ACID
H2SIO4-SULFUROUS-ACID
SULFURIC-ACID
TELLURIC-ACID
H2VO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
H2WO4
H3ASO3
H3ASO4
H3BO3
H3N
H3O+
H3P2O7H3PO4
H3SIO4H4BO5H4N2
H4P2O7
H4SIO4
H7(WO4)6-5
H7SIO6H8SIO6
H9B2O10HALO2
HASO2
HASO3FHASO4-2
HAUO3-2
HB4O7HBR
HBRI2
HBRO
HBRO3
HC2O4HCL
HCLO
HCLO2
HCLO3
HCLO4
HCO3HCOONH4
HCRO4HCUO2HF
HF2HFE(CN)6-3
HFEO2HHGO2HI
HIO
HIO3
TUNGSTIC-ACID
H3ASO3
ARSENIC-ACID
AMMONIA
H3O+
H3P2O7ORTHOPHOSPHORIC-ACID
H3SIO4H2BO3.H2O2HYDRAZINE
PYROPHOSPHORIC-ACID
H4SIO4
H7(WO4)6-5
HSI(OH)6H2(SI(OH)6)
H2BO3.H3BO3.(H2O2)2HALO2
ARSENOUS-ACID
HASO3FHASO4-HAUO3-HB4O7HYDROGEN-BROMIDE
HBRI2
HYDROGEN-HYPOBROMITE
HYDROGEN-BROMATE
HC2O4HYDROGEN-CHLORIDE
HYPOCHLOROUS-ACID
CHLOROUS-ACID
CHLORIC-ACID
PERCHLORIC-ACID
HCO3AMMONIUM-FORMATE
HCRO4HCUO2HYDROGEN-FLUORIDE
HF2HFE(CN)6-3
HFEO2HHGO2HYDROGEN-IODIDE
HIO
IODIC-ACID
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-87
Aqueous Component
Databanks: Hg
1-88 Databanks
Alias
Name
AQ AQ9
HN3
HNBO3
HNO2
HNO2-1
HNO2-2
HNO3
HOCN
HP2O7-3
HPBO2HPO3FHPO4-2
HSHS2O4HSBO2
HSCN
HSEHSEO3HSEO4HSIO3HSO3HSO4HSO5HTAO3
HVO4-2
HWO4HZNO2-
HYDROGEN-AZIDE
HNBO3
NITROUS-ACID
NITROUS-ACID(CIS)
NITROUS-ACID(TRANS)
NITRIC-ACID
HYDROGEN-CYANATE
HP2O7--HPBO2HPO3FHPO4-HSHS2O4HSBO2
HYDROGEN-THIOCYANATE
HSEHSEO3HSEO4HSIO3HSO3HSO4HSO5HTAO3
HVO4-HWO4HZNO2-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
HG
HG(AC)3HG(C2H4NO2)2
HG(C2O4)2-2
HG(CH5N)2+2
HG(CN)2
HG(CN)2CLHG(CN)3HG(CN)3BR-2
HG(CN)3CL-2
HG(CN)4-2
HG(HS)2
HG(NH3)2+2
HG(NH3)3+2
HG(NH3)4+2
HG(OH)2
MERCURY
HG(CH3COO)3HG(NH2CH2COO)2
HG(C2O4)2-HG(CH3NH2)2++
MERCURY-DICYANIDE
HG(CN)2CLHG(CN)3HG(CN)3BR-HG(CN)3CL-HG(CN)4-HG(HS)2
HG(NH3)2++
HG(NH3)3++
HG(NH3)4++
MERCURY-DIHYDROXIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Ho
Alias
Name
AQ AQ9
HG(SCN)2
HG(SCN)3HG(SCN)4-2
HG(SCN)BR
HG(SCN)CL
HG+2
HG2+2
HG2HC2O5HG2HP2O8-2
HG2HP2O8-3
HG2P2O7-2
HGBR+
HGBR2
HGBR3HGBR4-2
HGBRCL
HGC2H4NO2+
HGC4H6O4
HGCH3COO+
HGCH5N+2
HGCL+
HGCL2
HGCL3HGCL4-2
HGCLC2H4NO2
HGCN+
HGF+
HGI+
HGI2
HGI2BR2-2
HGI3HGI3BR-2
HGI4-2
HGIBR
HGIBR3-2
HGICL
HGOH+
HGS2-2
HGSC4N4-2
HGSO4
MERCURY-THIOCYANATE
HG(CNS)3HG(CNS)4-2
HG(CNS)BR
HG(CNS)CL
HG++
HG2++
HG2(OH)C2O4HG2(OH)P2O7-HG2(OH)P2O7--HG2P2O7-HGBR+
MERCURY-DIBROMIDE
HGBR3HGBR4-HGCLBR
HG(NH2CH2COO)+
HG(CH3COO)2
HGCH3COO+
HG(CH3NH2)++
HGCL+
MERCURY-DICHLORIDE
HGCL3HGCL4-HGCL(NH2CH2COO)
HGCN+
HGF+
HGI+
MERCURY-DIIODIDE
HGBR2I2-HGI3HGBRI3-HGI4-HGBRI
HGIBR3-HGCLI
HGOH+
HGS2-HG(CNS)(CN)3-MERCURY-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
HO(CH3CO2)2+
HO(CH3CO2)3
HO(CH3CO2)2+
HOLMIUM-TRIACETATE
X
X
X
X
Databanks 1-89
Aqueous Component
Databanks: I
Aqueous Component
Databanks: In
1-90 Databanks
Alias
Name
AQ AQ9
HO(SO4)2HO+3
HOCH3CO2+2
HOCL+2
HOCL2+
HOCL3-AQ
HOCL4HOCO3+
HOF+2
HOF2+
HOF3-AQ
HOF4HOH2PO4+2
HOHCO3+2
HONO3+2
HOO+
HOO2HOO2H
HOOH+2
HOSO4+
HO(SO4)2HO+3
HOCH3CO2++
HOCL+2
HOCL2+
HOLMIUM-CHLORIDE,AQ
HOCL4HOCO3+
HOF+2
HOF2+
HOLMIUM-FLUORIDE,AQ
HOF4HOH2PO4+2
HOHCO3+2
HONO3+2
HOO+
HOO2HOO2H,AQ
HOOH+2
HOSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
I(CN)2II2
I2CLI2CNI2O-2
I2OHI3IBR
IBR2IBRCLICL
ICL2IOIO3IO4-
I(CN)2IIODINE
I2CLI2CNI2O-I2OHI3IODINE-BROMIDE
IBR2IBRCLIODINE-CHLORIDE
ICL2IOIO3IO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
IN(C2O4)2IN(OH)2+
IN(SCN)2+
IN(C2O4)2IN(OH)2+
IN(CNS)2+
X
X
X
X
X
X
Aqueous Component
Databanks: K
Aqueous Component
Databanks: La
Alias
Name
AQ AQ9
IN(SCN)3
IN+
IN+2
IN+3
INC2O4+
INOH+2
INSCN+2
INSO4+
INDIUM-THIOCYANATE
IN+
IN++
IN+++
INC2O4+
INOH++
INSCN++
INSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
K(AC)
K(AC)2K(BUT)
K(BUT)2K(FOR)
K(FOR)2K(GLYC)
K(GLYC)2K(LAC)
K(LAC)2K(PENT)
K(PENT)2K(PROP)
K(PROP)2K+
KBR
KCL
KHSO4
KI
KOH
KP2O7-3
KS2O8KSO4-
KCH3COO
K(CH3COO)2KCH3(CH2)2CO2
K(CH3CH2CH2CO2)2KCHO2
K(CHO2)2KCH3OCO2
K(CH3OCO2)2KCH3CH2OCO2
K(CH3CH2OCO2)2KCH3(CH2)3CO2
K(CH3CH2CH2CH2CO2)2KCH3CH2CO2
K(CH3CH2CO2)2K+
POTASSIUM-BROMIDE
POTASSIUM-CHLORIDE
KHSO4
POTASSIUM-IODIDE
POTASSIUM-HYDROXIDE
KP2O7-3
KS2O8KSO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
LA(BUT)+2
LA(BUT)2+
LA(CH3CO2)2+
LA(CH3CO2)3
LA(FOR)+2
LA(FOR)2+
LA(PENT)+2
LA(PENT)2+
LACH3(CH2)2CO2+2
LA(CH3CH2CH2CO2)2+
LA(CH3CO2)2+
LANTHANUM-TRIACETATE
LACHO2+2
LA(CHO2)2+
LACH3(CH2)3CO2+2
LA(CH3CH2CH2CH2CO2)2+
X
X
X
X
X
X
X
X
X
X
Databanks 1-91
Aqueous Component
Databanks: Li
Aqueous Component
Databanks: Lu
1-92 Databanks
Alias
Name
AQ AQ9
LA(PROP)+2
LA(PROP)2+
LA(SO4)2LA+3
LACH3CO2+2
LACL+2
LACL2+
LACL3-AQ
LACL4LACO3+
LAF+2
LAF2+
LAF3-AQ
LAF4LAH2PO4+2
LAHCO3+2
LANO3+2
LAO+
LAO2LAO2H
LAOH+2
LASO4+
LACH3CH2CO2+2
LA(CH3CH2CO2)2+
LA(SO4)2LA+3
LACH3CO2++
LACL+2
LACL2+
LANTHANUM-CHLORIDE,AQ
LACL4LACO3+
LAF+2
LAF2+
LANTHANUM-FLUORIDE,AQ
LAF4LAH2PO4+2
LAHCO3+2
LANO3+2
LAO+
LAO2LAO2H,AQ
LAOH+2
LASO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
LI(AC)
LI(AC)2LI+
LICL
LIHP2O7-2
LIHPO4LINO3
LIOH
LIP2O7-3
LISO4-
LICH3COO
LI(CH3COO)2LI+
LITHIUM-CHLORIDE
LIHP2O7-LIHPO4LITHIUM-NITRATE
LITHIUM-HYDROXIDE
LIP2O7--LISO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
LU(AC)+2
LU(AC)2+
LU(AC)3
LU(SO4)2LU+3
LUCL+2
LUCL2+
LUCH3COO+2
LU(CH3COO)2+
LU(CH3COO)3
LU(SO4)2LU+3
LUCL+2
LUCL2+
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Mg
Alias
Name
AQ AQ9
LUCL3-AQ
LUCL4LUCO3+
LUF+2
LUF2+
LUF3
LUF4LUH2PO4+2
LUHCO3+2
LUNO3+2
LUO+
LUO2LUO2H
LUOH+2
LUSO4+
LUCL3,AQ
LUCL4LUCO3+
LUF+2
LUF2+
LUF3,AQ
LUF4LUH2PO4+2
LUHCO3+2
LUNO3+2
LUO+
LUO2LUO2H,AQ
LUOH+2
LUSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
MG(AC)2
MG(ALA)+
MG(ALA)2
MG(BUT)+
MG(BUT)2
MG(C2O4)2-2
MG(FOR)+
MG(FOR)2
MG(GLY)+
MG(GLY)2
MG(GLYC)+
MG(GLYC)2
MG(LAC)+
MG(LAC)2
MG(PENT)+
MG(PENT)2
MG(PROP)+
MG(PROP)2
MG+2
MGCH3CO2+
MGCL+
MGCO3
MGF+
MGHCO3+
MGIO3+
MGOH+
MGP2O7-2
MG(CH3COO)2
MG(C3H6NO2)+
MG(C3H6NO2)2
MGCH3(CH2)2CO2+
MG(CH3CH2CH2CO2)2
MG(C2O4)2-MGCHO2+
MG(CHO2)2
MG(C2H4NO2)+
MG(C2H4NO2)2
MGCH3OCO2+
MG(CH3OCO2)2
MGCH3CH2OCO2+
MG(CH3CH2OCO2)2
MGCH3(CH2)3CO2+1
MG(CH3CH2CH2CH2CO2)2
MGCH3CH2CO2+
MG(CH3CH2CO2)2
MG++
MGCH3CO2+
MGCL+
MAGNESIUM-CARBONATE
MGF+
MGHCO3+
MGIO3+
MGOH+
MGP2O7--
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-93
Aqueous Component
Databanks: Mn
Aqueous Component
Databanks: N
1-94 Databanks
Alias
Name
AQ AQ9
MGSO4
MAGNESIUM-SULFATE
Alias
Name
AQ AQ9
MN(AC)2
MN(AC)3MN(ALA)+
MN(ALA)2
MN(BUT)+
MN(BUT)2
MN(C2O4)2-2
MN(FOR)+
MN(GLY)+
MN(GLY)2
MN(GLYC)+
MN(GLYC)2
MN(LAC)+
MN(LAC)2
MN(OH)3MN(PENT)+
MN(PENT)2
MN(PROP)+
MN(PROP)2
MN(SCN)2
MN+2
MN+3
MNC2H2O4
MNC2O4
MNCH3CO2+
MNCL+
MNCL2
MNCL3MNHCO3+
MNO4MNO4-2
MNOH+
MNSCN+
MNSO4
MN(CH3COO)2
MN(CH3COO)3MN(C3H6NO2)+
MN(C3H6NO2)2
MNCH3(CH2)2CO2+
MN(CH3CH2CH2CO2)2
MN(C2O4)2-MNCHO2+
MN(C2H4NO2)+
MN(C2H4NO2)2
MNCH3OCO2+
MN(CH3OCO2)2
MNCH3CH2OCO2+
MN(CH3CH2OCO2)2
MN(OH)3MNCH3(CH2)3CO2+
MN(CH3CH2CH2CH2CO2)2
MNCH3CH2CO2+
MN(CH3CH2CO2)2
MANGANESE-THIOCYANATE
MN++
MN+++
MN(CHO2)2
MANGANESE-OXALATE
MNCH3COO+
MNCL+
MANGANESE-DICHLORIDE
MNCL3MNHCO3+
MNO4MNO4-MNOH+
MNCNS+
MANGANESE-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
N2
N2H5+
N2H5BR
N2H5CL
NITROGEN
N2H5+
N2H5BR
N2H5CL
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Na
Alias
Name
AQ AQ9
N2H5NO3
N2H5OH
N3NH2CH2COONH2CH2COOH
NH2COONH3CH2COOH+
NH4(AC)
NH4(AC)2NH4+
NH4BR
NH4CL
NH4CL3
NH4CN
NH4CNO
NH4F
NH4HF2
NH4HO2
NH4HS
NH4I
NH4N3
NH4NO2
NH4NO3
NH4OH
NO2NO3NOCL
N2H5NO3
N2H5OH
N3NH2CH2COONH2CH2COOH
CARBAMATE
NH3CH2COOH+
NH4CH3COO
NH4(CH3COO)2NH4+
AMMONIUM-BROMIDE
AMMONIUM-CHLORIDE
AMMONIUM-TRICHLORIDE
AMMONIUM-CYANIDE
AMMONIUM-CYANATE
AMMONIUM-FLUORIDE
AMMONIUM-HYDROGEN-FLUORIDE
NH4HO2
AMMONIUM-HYDROGEN-SULFIDE
AMMONIUM-IODIDE
AMMONIUM-AZIDE
AMMONIUM-NITRITE
AMMONIUM-NITRATE
AMMONIUM-HYDROXIDE
NO2NO3NITROSYL-CHLORIDE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
NA(AC)
NA(AC)2NA(BUT)
NA(BUT)2NA(FOR)2NA(GLYC)
NA(GLYC)2NA(LAC)
NA(LAC)2NA(PENT)
NA(PENT)2NA(PROP)
NA(PROP)2NA+
NA2P2O7-2
NACH3COO
NA(CH3COO)2NACH3(CH2)2CO2
NA(CH3CH2CH2CO2)2NA(CH02)2NA(CH3OCO2)
NA(CH3OCO2)2NACH3CH2OCO2
NA(CH3CH2OCO2)2NACH3(CH2)3CO2
NA(CH3CH2CH2CH2CO2)2NACH3CH2CO2
NA(CH3CH2CO2)2NA+
NA2P2O7--
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-95
Aqueous Component
Databanks: Nd
Aqueous Component
Databanks: Ni
1-96 Databanks
Alias
Name
AQ AQ9
NAALO2
NABR
NACHO2
NACL
NACLO
NACO3NAF
NAHCO3
NAHP2O7-2
NAHSIO3
NAI
NAOH
NAS2O3NASO4-
SODIUM-ALUMINATE
SODIUM-BROMIDE
SODIUM-FORMATE
SODIUM-CHLORIDE
SODIUM-HYPOCHLORITE
NACO3SODIUM-FLUORIDE
SODIUM-BICARBONATE
NAHP2O7-NAHSIO3
SODIUM-IODIDE
SODIUM-HYDROXIDE
NAS2O3NASO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
ND(CH3CO2)2+
ND(CH3CO2)3
ND(SO4)2ND+3
NDCH3CO2+2
NDCL+2
NDCL2+
NDCL3-AQ
NDCL4NDCO3+
NDF+2
NDF2+
NDF3-AQ
NDF4NDH2PO4+2
NDHCO3+2
NDNO3+2
NDO+
NDO2NDO2H
NDOH+2
NDSO4+
ND(CH3CO2)2+
NEODYMIUM-TRIACETATE
ND(SO4)2ND+3
NDCH3CO2++
NDCL+2
NDCL2+
NEODYMIUM-CHLORIDE,AQ
NDCL4NDCO3+
NDF+2
NDF2+
NEODYMIUM-FLUORIDE,AQ
NDF4NDH2PO4+2
NDHCO3+2
NDNO3+2
NDO+
NDO2NDO2H,AQ
NDOH+2
NDSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
NI(AC)+
NI(AC)2
NI(AC)3-
NICH3COO+
NI(CH3COO)2
NI(CH3COO)3-
X
X
X
Aqueous Component
Databanks: O
Aqueous Component
Databanks: P
Alias
Name
AQ AQ9
NI(ALA)+
NI(ALA)2
NI(BUT)+
NI(BUT)2
NI(CH5N)6+2
NI(CN)4-2
NI(FOR)+
NI(FOR)2
NI(GLY)+
NI(GLY)2
NI(GLYC)+
NI(GLYC)2
NI(LAC)+
NI(LAC)2
NI(NH3)2+2
NI(NH3)4+2
NI(NH3)6+2
NI(PENT)+
NI(PENT)2
NI(PROP)+
NI(PROP)2
NI+2
NIC2O4
NICL+
NIOH+
NIP2O7-2
NISCN+
NISO4
NI(C3H6NO2)+
NI(C3H6NO2)2
NICH3(CH2)2CO2+
NI(CH3CH2CH2CO2)2
NI(CH3NH2)6++
NI(CN)4-NICHO2+
NI(CHO2)2
NI(C2H4NO2)+
NI(C2H4NO2)2
NICH3OCO2+
NI(CH3OCO2)2
NICH3CH2OCO2+
NI(CH3CH2OCO2)2
NI(NH3)2++
NI(NH3)4++
NI(NH3)6++
NICH3(CH2)3CO2+
NI(CH3CH2CH2CH2CO2)2
NICH3CH2CO2+
NI(CH3CH2CO2)2
NI++
NICKEL-OXALATE
NICL+
NIOH+
NIP2O7-NICNS+
NICKEL-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
O2
O2HO2S
O3
OCNOH-
OXYGEN
HO2SULFUR-DIOXIDE
OZONE
CNOOH-
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
P2O7-4
PH3
PH4+
PH4OH
PO3F-2
P2O7---PHOSPHINE
PH4+
PH3.H2O
PO3F--
X
X
X
X
X
X
X
X
X
X
Databanks 1-97
Aqueous Component
Databanks: Pb
1-98 Databanks
Alias
Name
AQ AQ9
PO4-3
PO4---
Alias
Name
AQ AQ9
PB(AC)3PB(ALA)+
PB(ALA)2
PB(BUT)+
PB(BUT)2
PB(CH3CO2)+
PB(CH3CO2)2
PB(CLO3)2
PB(GLY)+
PB(GLY)2
PB(GLYC)+
PB(GLYC)2
PB(LAC)+
PB(LAC)2
PB(OH)3PB(PENT)+
PB(PENT)2
PB(PROP)+
PB(PROP)2
PB(SCN)2
PB+2
PB3(OH)4+2
PB4(OH)4+4
PB6(OH)8+4
PBBR+
PBBR2
PBBR3PBBRO3+
PBC2H2O4
PBCL+
PBCL2
PBCL3PBCL4-2
PBCLO3+
PBF+
PBF2
PBHCO2+
PBI+
PBI2
PBI3PBI4-2
PB(CH3COO)3PB(C3H6NO2)+
PB(C3H6NO2)2
PBCH3(CH2)2CO2+
PB(CH3CH2CH2CO2)2
PB(CH3CO2)+
LEAD-DIACETATE
PB(CLO3)2
PB(C2H4NO2)+
PB(C2H4NO2)2
PBCH3OCO2+
PB(CH3OCO2)2
PBCH3CH2OCO2+
PB(CH3CH2OCO2)2
PB(OH)3PBCH3(CH2)3CO2+
PB(CH3CH2CH2CH2CO2)2
PBCH3CH2CO2+
PB(CH3CH2CO2)2
LEAD-THIOCYANATE
PB++
PB3(OH)4++
PB4(OH)4+4
PB6(OH)8+4
PBBR+
LEAD-DIBROMIDE
PBBR3PBBRO3+
PB(HCO2)2
PBCL+
LEAD-DICHLORIDE
PBCL3PBCL4-PBCLO3+
PBF+
LEAD-DIFLUORIDE
PBHCO2+
PBI+
LEAD-DIIODIDE
PBI3PBI4--
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Pd
Aqueous Component
Databanks: Pr
Aqueous Component
Databanks: Pt
Alias
Name
AQ AQ9
PBNO3+
PBOH+
PBP2O7-2
PBSCN+
PBNO3+
PBOH+
PBP2O7-PBCNS+
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
PD+2
PDBR4-2
PDCL+
PDCL3(C2H4)-
PD++
PDBR4-PDCL+
PDCL3(C2H4)-
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
PR(CH3CO2)2+
PR(CH3CO2)3
PR(OH)2+
PR(SO4)2PR+3
PRCH3CO2+2
PRCL+2
PRCL2+
PRCL3-AQ
PRCL4PRCO3+
PRF+2
PRF2+
PRF3-AQ
PRF4PRH2PO4+2
PRHCO3+2
PRMOO4+
PRNO3+2
PRO+
PRO2PRO2H
PROH+2
PRSO4+
PR(CH3CO2)2+
PRASEODYMIUM-TRIACETATE
PR(OH)2+
PR(SO4)2PR+3
PRCH3CO2++
PRCL++
PRCL2+
PRASEODYMIUM-CHLORIDE,AQ
PRCL4PRCO3+
PRF+2
PRF2+
PRASEODYMIUM-FLUORIDE,AQ
PRF4PRH2PO4+2
PRHCO3+2
PRMOO4+
PRNO3+2
PRO+
PRO2PRO2H,AQ
PROH+2
PRSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
PT(NH3)3CL+
PT(NH3)4+2
PT(NH3)CL3PT+2
PT(NH3)3CL+
PT(NH3)4++
PT(NH3)CL3PT++
X
X
X
X
X
X
X
X
Databanks 1-99
Aqueous Component
Databanks: Rb
Aqueous Component
Databanks: S
Aqueous Component
Databanks: Sc
1-100 Databanks
Alias
Name
AQ AQ9
PTBR4-2
PTBR6-2
PTCL4-2
PTCL6-2
PTI6-2
PTBR4-PTBR6-PTCL4-PTCL6-PTI6--
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
RB(AC)
RB(AC)2RB+
RBBR
RBCL
RBF
RBI
RBCH3COO
RB(CH3COO)2RB+
RUBIDIUM-BROMIDE
RUBIDIUM-CHLORIDE
RUBIDIUM-FLUORIDE
RUBIDIUM-IODIDE
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
S-2
S2-2
S2O3-2
S2O4-2
S2O5-2
S2O6-2
S2O8-2
S3-2
S3O6-2
S4-2
S4O6-2
S5-2
S5O6-2
SF6
SO3-2
SO4-2
S-S2-S2O3-S2O4-S2O5-S2O6-S2O8-S3-S3O6-S4-S4O6-S5-S5O6-SULFUR-HEXAFLUORIDE
SO3-SO4--
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
SC(AC)+2
SC(AC)2+
SC(AC)3
SC(SEO4)2SC+3
SCBR+2
SCBR2+
SCCL+2
SCCH3COO+2
SC(CH3COO)2+
SC(CH3COO)3
SC(SEO4)2SC+3
SCBR++
SCBR2+
SCCL++
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Sm
Aqueous Component
Databanks: Sn
Aqueous Component
Databanks: Sr
Alias
Name
AQ AQ9
SCCL2+
SCOH+2
SCSEO4+
SCCL2+
SCOH++
SCSEO4+
X
X
X
X
X
X
Alias
Name
AQ AQ9
SM(CH3CO2)2+
SM(CH3CO2)3
SM(SO4)2SM+2
SM+3
SMCH3CO2+2
SMCL+2
SMCL2+
SMCL3-AQ
SMCL4SMCO3+
SMF+2
SMF2+
SMF3-AQ
SMF4SMH2PO4+2
SMHCO3+2
SMNO3+2
SMO+
SMO2SMO2H
SMOH+2
SMSO4+
SM(CH3CO2)2+
SAMARIUM-TRIACETATE
SM(SO4)2SM++
SM+3
SMCH3CO2++
SMCL+2
SMCL2+
SAMARIUM-TRICHLORIDE,AQ
SMCL4SMCO3+
SMF+2
SMF2+
SMF3,AQ
SMF4SMH2PO4+2
SMHCO3+2
SMNO3+2
SMO+
SMO2SMO2H,AQ
SMOH+2
SMSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
SN(SO4)2
SN+2
SNF+
SNOH+
SNOHBR
SNOHCL
SNOOH+
SNOOHF
SNSO4+2
TIN-DISULFATE
SN++
SNF+
SNOH+
SNOHBR
SNOHCL
SNOOH+
SNO(OH)F
SNSO4++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
SR(AC)+
SRCH3COO+
Databanks 1-101
Aqueous Component
Databanks: Tb
1-102 Databanks
Alias
Name
AQ AQ9
SR(AC)2
SR(ALA)+
SR(ALA)2
SR(BUT)+
SR(BUT)2
SR(FOR)+
SR(FOR)2
SR(GLY)+
SR(GLY)2
SR(GLYC)+
SR(GLYC)2
SR(LAC)+
SR(LAC)2
SR(PENT)+
SR(PENT)2
SR(PROP)+
SR(PROP)2
SR+2
SRCL+
SRCO3
SRF+
SROH+
SR(CH3COO)2
SR(C3H6NO2)+
SR(C3H6NO2)2
SRCH3(CH2)2CO2+
SR(CH3CH2CH2CO2)2
SRCHO2+
SR(CHO2)2
SR(C2H4NO2)+
SR(C2H4NO2)2
SRCH3OCO2+
SR(CH3OCO2)2
SRCH3CH2OCO2+
SR(CH3CH2OCO2)2
SRCH3(CH2)3CO2+
SR(CH3CH2CH2CH2CO2)2
SRCH3CH2CO2+
SR(CH3CH2CO2)2
SR++
SRCL+
STRONTIUM-CARBONATE
SRF+
SR(OH)+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
TB(AC)+2
TB(AC)2+
TB(AC)3
TB(SO4)2TB+3
TBCL+2
TBCL2+
TBCL3-AQ
TBCL4TBCO3+
TBF+2
TBF2+
TBF3
TBF4TBH2PO4+2
TBHCO3+2
TBNO3+2
TBO+
TBO2TBO2H
TBCH3COO+2
TB(CH3COO)2+
TB(CH3COO)3
TB(SO4)2TB+3
TBCL+2
TBCL2+
TERBIUM-TRICHLORIDE,AQ
TBCL4TBCO3+
TBF+2
TBF2+
TBF3,AQ
TBF4TBH2PO4+2
TBHCO3+2
TBNO3+2
TBO+
TBO2TBO2H,AQ
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Th
Aqueous Component
Databanks: Tl
Alias
Name
AQ AQ9
TBOH+2
TBSO4+
TBOH+2
TBSO4+
X
X
Alias
Name
AQ AQ9
TH(BRO3)2+2
TH(C2O4)3-2
TH(H2PO4)2+2
TH(IO3)2+2
TH(IO3)3+
TH(NO3)2+2
TH(OH)2+2
TH(SCN)2+2
TH(SCN)3+
TH(SCN)4
TH(SO4)3-2
TH(SO4)4-4
TH+4
TH2(OH)2+6
THBRO3+3
THC2O4+2
THCH3COO+3
THCL+3
THCL2+2
THCL3+
THCLO3+
THF+3
THF2+2
THF3+
THF4
THH2PO4+3
THIO3+3
THNO3+3
THOH+3
THSCN+3
THSO4+2
TH(BRO3)2++
TH(C2O4)3-2
TH(H2PO4)2+2
TH(IO3)2++
TH(IO3)3+
TH(NO3)2+2
TH(OH)2++
TH(SCN)2++
TH(SCN)3+
TH(SCN)4
TH(SO4)3-TH(SO4)4-4
TH+4
TH2(OH)2+6
THBRO3+3
THC2O4++
THCH3COO+3
THCL+3
THCL2++
THCL3+
THCLO3+
THF+3
THF2++
THF3+
THORIUM-TETRAFLUORIDE
THH2PO4+3
THIO3+3
THNO3+3
THOH+3
THSCN+3
THSO4++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
TL(AC)
TL(AC)2TL(CN)4TL(OH)2+
TL+
TL+3
TLCH3COO
TL(CH3COO)2TL(CN)4TL(OH)2+
TL+
TL+++
X
X
X
X
X
X
X
X
X
X
Databanks 1-103
Aqueous Component
Databanks: Tm
1-104 Databanks
Alias
Name
AQ AQ9
TLBR+
TLBR+2
TLBR2+
TLBR2TLBR3
TLBR4TLBRCLTLCL
TLCL+2
TLCL2+
TLCL2TLCL3
TLCL4TLCLO3
TLCNS
TLF
TLI
TLI2TLI4TLIBRTLNH3+
TLNO3
TLNO3+2
TLOH
TLOH+2
TLSO4-
TLBR+
TLBR++
TLBR2+
TLBR2THALLIUM-TRIBROMIDE
TLBR4TLBRCLTHALLIUM-CHLORIDE
TLCL++
TLCL2+
TLCL2THALLIUM-TRICHLORIDE
TLCL4THALLIUM-CHLORATE
THALLIUM-THIOCYANATE
THALLIUM-FLUORIDE
THALLIUM-IODIDE
TLI2TLI4TLIBRTLNH3+
THALLIUM-NITRATE
TLNO3++
THALLIUM-HYDROXIDE
TLOH++
TLSO4-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
TM(AC)+2
TM(AC)2+
TM(AC)3
TM(SO4)2TM+3
TMCL+2
TMCL2+
TMCL3-AQ
TMCL4TMCO3+
TMF+2
TMF2+
TMF3-AQ
TMF4TMH2PO4+2
TMHCO3+2
TMCH3COO+2
TM(CH3COO)2+
TM(CH3COO)3
TM(SO4)2TM+3
TMCL+2
TMCL2+
THULIUM-TRICHLORIDE,AQ
TMCL4TMCO3+
TMF+2
TMF2+
THULIUM-TRIFLUORIDE,AQ
TMF4TMH2PO4+2
TMHCO3+2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: U
Alias
Name
AQ AQ9
TMNO3+2
TMO+
TMO2TMO2H
TMOH+2
TMSO4+
TMNO3+2
TMO+
TMO2TMO2H,AQ
TMOH+2
TMSO4+
X
X
X
X
X
X
Alias
Name
AQ AQ9
U(AC)+2
U(AC)2+
U(AC)3
U(BUT)+2
U(BUT)2+
U(CO3)4-4
U(CO3)5-6
U(FOR)+2
U(FOR)2+
U(NO3)2+2
U(OH)4
U(OH)5U(PENT)+2
U(PROP)+2
U(PROP)2+
U(SCN)2+2
U(SO4)2
U+3
U+4
U2CO7(OH)3U3O10H4+2
U3O11H5+
U3O13H7U3O6(CO3)6-6
U4O15H7+
UBR+3
UCL+3
UF+3
UF2+2
UF3+
UF4
UF5UF6-2
UI+3
UNO3+3
(UO2)2OH+3
UCH3COO+2
U(CH3COO)2+
U(CH3COO)3
UCH3(CH2)2CO2+2
U(CH3CH2CH2CO2)2+
U(CO3)4-4
U(CO3)5-6
UCHO2+2
U(CHO2)2+
U(NO3)2++
U(OH)4
U(OH)5UCH3(CH2)3CO2+2
UCH3CH2CO2+2
U(CH3CH2CO2)2+
U(SCN)2++
URANIUM-DISULFATE
U+3
U+4
U2CO7(OH)3U3O10H4++
U3O11H5+
U3O13H7U3O6(CO3)6-6
U4O15H7+
UBR+3
UCL+3
UF+3
UF2++
UF3+
URANIUM-TETRAFLUORIDE
UF5UF6-UI+3
UNO3+3
(UO2)2OH+3
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-105
1-106 Databanks
Alias
Name
AQ AQ9
(UO2OH)2+2
UO2(AC)+
UO2(AC)2
UO2(AC)3UO2(CO3)2-2
UO2(CO3)3-4
UO2(CO3)3-5
UO2(H2PO4)2
UO2(IO3)2
UO2(N3)2
UO2(N3)3UO2(N3)4-2
UO2(OH)2
UO2(OH)3UO2(OH)4-2
UO2(SCN)2
UO2(SCN)3UO2(SO4)2-2
UO2+
UO2+2
UO2BR+
UO2BRO3+
UO2CL+
UO2CL2
UO2CLO3+
UO2CO3
UO2F+
UO2F2
UO2F3UO2F4-2
UO2H2PO4+
UO2H3PO4+2
UO2H5P2O8+
UO2HPO4
UO2IO3+
UO2N3+
UO2NO3+
UO2OH+
UO2PO4UO2S2O3
UO2SCN+
UO2SO3
UO2SO4
UOH+3
USCN+3
(UO2OH)2++
UO2CH3COO+
UO2(CH3COO)2
UO2(CH3COO)3UO2(CO3)2-UO2(CO3)3-4
UO2(CO3)3-5
UO2(H2PO4)2
UO2(IO3)2
UO2(N3)2
UO2(N3)3UO2(N3)4-UO2(OH)2
UO2(OH)3UO2(OH)4-UO2(SCN)2
UO2(SCN)3UO2(SO4)2-UO2+
UO2++
UO2BR+
UO2BRO3+
UO2CL+
URANIUM-DICHLORIDE-DIOXIDE
UO2CLO3+
UO2CO3
UO2F+
URANIUM-DIFLUORIDE-DIOXIDE
UO2F3UO2F4-UO2H2PO4+
UO2H3PO4++
UO2H5P2O8+
UO2HPO4
UO2IO3+
UO2N3+
UO2NO3+
UO2OH+
UO2PO4UO2S2O3
UO2SCN+
UO2SO3
URANIUM-SULFATE-DIOXIDE
UOH+3
USCN+3
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: V
Aqueous Component
Databanks: Y
Aqueous Component
Databanks: Yb
Alias
Name
AQ AQ9
USO4+2
USO4++
Alias
Name
AQ AQ9
V+2
V+3
VO+2
VO2+
VO3VOSCN+
V++
V+++
VO++
VO2+
VO3VOSCN+
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
Y(AC)+2
Y(AC)2+
Y(AC)3
Y(C2O4)2Y(C2O4)3-3
Y(SO4)2Y+3
Y2(OH)2+4
YBR+2
YC2O4+
YCL+2
YNO3+2
YOH+2
YSCN+2
YSO4+
YCH3COO+2
Y(CH3COO)2+
Y(CH3COO)3
Y(C2O4)2Y(C2O4)3-3
Y(SO4)2Y+3
Y2(OH)2+4
YBR++
YC2O4+
YCL++
YNO3++
YOH++
YCNS++
YSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
YB(BUT)+2
YB(BUT)2+
YB(CH3CO2)2+
YB(CH3CO2)3
YB(FOR)+2
YB(FOR)2+
YB(PENT)+2
YB(PENT)2+
YB(PROP)+2
YB(PROP)2+
YB(SO4)2YB+2
YB+3
YBCH3CO2+2
YBCH3(CH2)2CO2+2
YB(CH3CH2CH2CO2)2+
YB(CH3CO2)2+
YTTERBIUM-TRIACETATE
YBCHO2+2
YB(CHO2)2+
YBCH3(CH2)3CO2+2
YB(CH3CH2CH2CH2CO2)2+
YBCH3CH2CO2+2
YB(CH3CH2CO2)2+
YB(SO4)2YB++
YB+3
YBCH3CO2++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-107
Aqueous Component
Databanks: Zn
1-108 Databanks
Alias
Name
AQ AQ9
YBCL+2
YBCL2+
YBCL3-AQ
YBCL4YBCO3+
YBF+2
YBF2+
YBF3
YBF4YBH2PO4+2
YBHCO3+2
YBNO3+2
YBO+
YBO2YBO2H
YBOH+2
YBSO4+
YBCL+2
YBCL2+
YBCL3,AQ
YBCL4YBCO3+
YBF+2
YBF2+
YBF3,AQ
YBF4YBH2PO4+2
YBHCO3+2
YBNO3+2
YBO+
YBO2YBO2H,AQ
YBOH+2
YBSO4+
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
ZN(ALA)+
ZN(ALA)2
ZN(BUT)+
ZN(BUT)2
ZN(C2O4)2-2
ZN(CH3COO)3ZN(CH3COOH)+
ZN(CH3COOH)2
ZN(CHO2)2
ZN(CHO2)3ZN(CHO2)4-2
ZN(CN)4-2
ZN(FOR)+
ZN(GLY)+
ZN(GLY)2
ZN(GLYC)+
ZN(GLYC)2
ZN(LAC)+
ZN(LAC)2
ZN(N2H4)2+2
ZN(N2H4)3+2
ZN(N2H4)4+2
ZN(NH3)2+2
ZN(NH3)3+2
ZN(NH3)4+2
ZN(C3H6NO2)+
ZN(C3H6NO3)2
ZNCH3(CH2)2CO2+
ZN(CH3CH2CH2CO2)2
ZN(C2O4)2-ZN(CH3COO)3ZN(CH3COO)+
ZN(CH3COO)2
ZINC-FORMATE
ZN(CHO2)3ZN(CHO2)4-ZN(CN)4-ZNCHO2+
ZN(C2H4NO2)+
ZN(C2H4NO2)2
ZNCH3OCO2+
ZN(CH3OCO2)2
ZNCH3CH2OCO2+
ZN(CH3CH2OCO2)2
ZN(N2H4)2++
ZN(N2H4)3++
ZN(N2H4)4++
ZN(NH3)2++
ZN(NH3)3++
ZN(NH3)4++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Aqueous Component
Databanks: Zr
Alias
Name
AQ AQ9
ZN(OH)2
ZN(OH)3ZN(OH)4-2
ZN(OH)CL
ZN(PENT)+
ZN(PENT)2
ZN(PROP)+
ZN(PROP)2
ZN(SCN)2
ZN(SCN)4-2
ZN+2
ZNBR+
ZNBR2
ZNBR3ZNC2O4
ZNCL+
ZNCL2
ZNCL3ZNCL4-2
ZNCLO4+
ZNF+
ZNI+
ZNI2
ZNI3ZNI4-2
ZNN2H4+2
ZNN3+
ZNN6
ZNNH3+2
ZNO2-2
ZNOH+
ZNSO4
ZINC-HYDROXIDE
ZN(OH)3ZN(OH)4-ZN(OH)CL
ZNCH3(CH2)3CO2+
ZN(CH3CH2CH2CH2CO2)2
ZNCH3CH2CO2+
ZN(CH3CH2CO2)2
ZINC-THIOCYANATE
ZN(CNS)4-ZN++
ZNBR+
ZINC-BROMIDE
ZNBR3ZINC-OXALATE
ZNCL+
ZINC-CHLORIDE
ZNCL3ZNCL4-ZNCLO4+
ZNF+
ZNI+
ZINC-IODIDE
ZNI3ZNI4-ZNN2H4++
ZNN3+
ZINC-AZIDE
ZNNH3++
ZNO2-ZNOH+
ZINC-SULFATE
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Alias
Name
AQ AQ9
ZR(OH)2+2
ZR(OH)3+
ZR(OH)4
ZR(SO4)2
ZR(SO4)3-2
ZR+4
ZROH+3
ZRSO4+2
ZR(OH)2++
ZR(OH)3+
ZIRCONIUM-TETRAHYDROXIDE
ZIRCONIUM-DISULFATE
ZR(SO4)3-ZR+4
ZR(OH)+++
ZRSO4++
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Databanks 1-109
Aqueous Component
Databanks: Other
Elements
1-110 Databanks
Alias
Name
AQ AQ9
AR
ASO+
ASO2ASO3F-2
ASO4-3
BE(AC)+
BE(AC)2
BE+2
BEO2-2
BI(AC)+2
BI(AC)2+
BI(AC)3
FHE-4
KR
MOO4-2
NBO2+
NBO3NE
OSO4
RA(AC)+
RA(AC)2
RA+2
RERECL6-2
REO4RN
RUO4
SB(OH)3
SB2S4-2
SBO+
SBO2SE-2
SEO3-2
SEO4-2
SIF6-2
SIO2
SIO4-4
TAO2+
TAO3TE(OH)3+
WO4-2
XE
ARGON
ASO+
ASO2ASO3F-ASO4--BECH3COO+
BE(CH3COO)2
BE++
BEO2-BICH3COO+2
BI(CH3COO)2+
BI(CH3COO)3
FHELIUM-4
KRYPTON
MOO4-NBO2+
NBO3NEON
OSMIUM-TETROXIDE
RACH3COO+
RA(CH3COO)2
RA++
RERECL6-REO4RADON
RUTHENIUM-TETROXIDE
ANTIMONY-TRIHYDROXIDE
SB2S4-SBO+
SBO2SE-SEO3-SEO4-SIF6-SILICON-DIOXIDE
SIO4---TAO2+
TAO3TE(OH)3+
WO4-XENON
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Combust Component Databank

The COMBUST component databank contains data for these
parameters:
Parameter
Name
Description
CPIG
DGFORM
DHFORM
MW
NATOM

Standard enthalpy of formation
Molecular weight
Vector containing numbers of C, H, O, N, S, F, Cl, Br, I,
Ar and He atoms
The table below lists the components present in the COMBUST

component databank.
Alias
Name
AR
BR
BR2
C
C-2
C-S
C2H2
C2H4
C2N2
C3O2
CCL4
CH
CH2
CH2CL2
CH2O
CH3
CH3CL
CH4
CHCL3
CHN
CHO
CL
CL2
CN
CNO
CO
CO2
COS
CS2
ARGON
BROMINE-MONATOMIC-GAS
BROMINE
CARBON-GRAPHITE
CARBON-DIATOMIC-GAS
CARBON-MONOSULFIDE-GAS
ACETYLENE
ETHYLENE
CYANOGEN
CARBON-SUBOXIDE
CARBON-TETRACHLORIDE
METHYLIDYNE-GAS
METHYLENE-GAS
DICHLOROMETHANE
FORMALDEHYDE
METHYL-GAS
METHYL-CHLORIDE
METHANE
CHLOROFORM
HYDROGEN-CYANIDE
FORMYL-GAS
CHLORINE-MONATOMIC-GAS
CHLORINE
CYANO-GAS
NCO-RADICAL
CARBON-MONOXIDE
CARBON-DIOXIDE
CARBONYL-SULFIDE
CARBON-DISULFIDE
Databanks 1-111
1-112 Databanks
Alias
Name
F
F2
H
H2
H2N
H2O
H2S
H3N
HBR
HCL
HE-4
HF
HI
HNO
HO2
HS
I
I2
N
N2
N2O
NH
NO
NO2
O
O2
O2S
OH
S2
SO
FLUORINE-MONATOMIC-GAS
FLUORINE
HYDROGEN-MONATOMIC-GAS
HYDROGEN
AMIDOGEN
WATER
HYDROGEN-SULFIDE
AMMONIA
HYDROGEN-BROMIDE
HYDROGEN-CHLORIDE
HELIUM-4
HYDROGEN-FLUORIDE
HYDROGEN-IODIDE
NITROXYL
HYDROPEROXYL
HYDROGEN-MONOSULFIDE-GAS
IODINE-MONATOMIC-GAS
IODINE
NITROGEN-MONATOMIC-GAS
NITROGEN
NITROUS-OXIDE
IMIDOGEN-GAS
NITRIC-OXIDE
NITROGEN-DIOXIDE
OXYGEN-MONATOMIC-GAS
OXYGEN
SULFUR-DIOXIDE
HYDROXYL-GAS
SULFUR-DIATOMIC-GAS
SULFUR-MONOXIDE-GAS
Ethylene Component Databank

The ETHYLENE component databank contains data for these
parameters:
Property
Description
SRKAIJ
Binary interaction parameter for the SRK equation of

state model
Binary interaction parameter for the SRK equation of
state model
Acentric factor for the SRK equation of state
Critical pressure for the SRK equation of state
Critical temperature for the SRK equation of state
SRKBIJ
SRKOMG
SRKPC
SRKTC
The table below lists the components present in the ETHYLENE

component databank.
Alias
Name
AR
CCL2F2
CH4
CO
CO2
C2H2
C2H4
C2H6
C3H4-1
C3H4-2
C3H6-2
C3H7NO
C3H8
C4H10-1
C4H10-2
C4H4
C4H6-4
C4H8-1
C4H8-2
C4H8-3
C4H8-5
C5H10-1
C5H10-2
C5H12-1
C5H12-2
C5H6
C5H8
C5H8-1
C5H8-3
ARGON
DICHLORODIFLUOROMETHANE
METHANE
CARBON-MONOXIDE
CARBON-DIOXIDE
ACETYLENE
ETHYLENE
ETHANE
PROPADIENE
METHYL-ACETYLENE
PROPYLENE
N,N-DIMETHYLFORMAMIDE
PROPANE
N-BUTANE
ISOBUTANE
VINYLACETYLENE
1,3-BUTADIENE
1-BUTENE
CIS-2-BUTENE
TRANS-2-BUTENE
ISOBUTYLENE
CYCLOPENTANE
1-PENTENE
N-PENTANE
2-METHYL-BUTANE
CYCLOPENTADIENE
CIS-1,3-PENTADIENE
CYCLOPENTENE
1-TRANS-3-PENTADIENE
Databanks 1-113
1-114 Databanks
Alias
Name
C5H8-4
C5H8-6
C6H10-2
C6H12-1
C6H12-3
C6H14-1
C6H14-5
C6H6
C7H14-6
C7H14-7
C7H16-1
C7H16-2
C7H8
C8H10-2
C8H10-4
C8H16-1
C8H16-16
C8H18-1
C8H18-2
C8H8
C9H10
C9H12-5
C9H18-1
C9H18-3
C9H20-1
C9H20-D1
C9H8
C10H14-9
C10H20-1
C10H20-5
C10H22-1
C10H8
C11H10-1
C11H22-2
C11H24
C12H18-D2
C12H24-2
C12H26
C13H10
C13H26-2
C13H28
C14H10-1
C14H28-2
C14H30
C15H24
C15H32
C16H12
1,4-PENTADIENE
CYCLOHEXENE
CYCLOHEXANE
1-HEXENE
N-HEXANE
2,3-DIMETHYL-BUTANE
BENZENE
METHYLCYCLOHEXANE
1-HEPTENE
N-HEPTANE
2-METHYLHEXANE
TOLUENE
M-XYLENE
ETHYLBENZENE
1,1-DIMETHYLCYCLOHEXANE
1-OCTENE
N-OCTANE
2-METHYLHEPTANE
STYRENE
ALPHA-METHYL-STYRENE
N-PROPYLCYCLOHEXANE
1-NONENE
N-NONANE
2-METHYLOCTANE
INDENE
1,2,4,5-TETRAMETHYLBENZENE
N-BUTYLCYCLOHEXANE
1-DECENE
N-DECANE
NAPHTHALENE
1-METHYLNAPHTHALENE
1-UNDECENE
N-UNDECANE
P-DIISOPROPYLBENZENE
1-DODECENE
N-DODECANE
FLUORENE
1-TRIDECENE
N-TRIDECANE
ANTHRACENE
1-TETRADECENE
N-TETRADECANE
N-NONYLBENZENE
N-PENTADECANE
1-PHENYLNAPHTHALENE
Alias
Name
C18H12
C20H16
C26H20
H2
H2O
H2S
N2
O2
O2S
CHRYSENE
TRIPHENYLETHYLENE
TETRAPHENYLETHYLENE
HYDROGEN
WATER
HYDROGEN-SULFIDE
NITROGEN
OXYGEN
SULFUR-DIOXIDE
SRKAIJ and SRKBIJ are used to compute the interaction

parameter using this equation:
k ij = aij + bij T
Where:
k ij
= Binary interaction parameter
aij
= SRKAIJ
bij
= SRKBIJ
= Temperature
Databanks 1-115
Inorganic Component Databank

The tables below list the components present in the INORGANIC
component databank.
INORGANIC Component
Databank Parameters
Ag
Al
As
Au
Ba
Be
Bi
Ca
Cd
Ce
Cl
Co
Cr
Cs
Cu
Dy
Er
Eu
Fe
Ga
Gd
Ge
Hf
Hg
Ho
In
Ir
La
Li
Mg
Mn
Mo
Na
Nb
Nd
Ni
Np
Os
Pb
Pd
Pr
Pt
Pu
Rb
Re
Rh
Ru
Sb
Sc
Se
Si
Sm
Sn
Sr
Ta
Tb
Te
Th
Ti
Tl
Tm
Yb
Zn
Zr
Other Elements
Parameter Name
Description
ATOMNO
Vector containing the atom types (atomic

numbers) for a given molecule (e.g., H=1, C=6,
O=8). Must use the vector NOATOM to define
the number of occurrences of each atom.
Ideal gas property parameters range 1
Liquid property parameters range 1
Liquid property parameters range 2
Solid property parameters range 1
Molecular weight
Vector containing the number of occurrences of
each atom defined in ATOMNO for a given
molecule. ATOMNO and NOATOM define the
Normal boiling temperature
Normal freezing temperature
Molar volume parameters of solid
CPIXP1
CPIXP2
CPIXP3
CPLXP1
CPLXP2
CPSXP1
CPSXP2
CPSXP3
CPSXP4
CPSXP5
CPSXP6
CPSXP7
MW
NOATOM
TB
TFP
VSPOLY
1-116 Databanks
The properties enthalpy, entropy, Gibbs free energy and heat

capacity can be calculated from the ideal gas, liquid, and solid
parameters with names beginning with CP.
ATOMNO and NOATOM together form the chemical formula of
the compound. They are used to calculate molecular weight and
are used in RGIBBS.
INORGANIC Component
Databank: Ag
Alias
Name
AG
AG2CO3
AG2CRO4
AG2O
AG2S
AG2S:A
AG2S:B
AG2S:C
AG2SE
AG2SE:A
AG2SE:B
AG2SE:C
AG2SO4
AG2SO4:A
AG2SO4:B
AG2TE
AG2TE:A
AG2TE:B
AG2WO4
AG3ASO4
AGBR
AGBRO3
AGCL
AGCLO3
AGCN
AGF
AGI
AGI:A
AGI:B
AGNO3
AGNO3:A
AGNO3:B
AGP2
AGP3
SILVER
SILVER-CARBONATE
SILVER-CHROMATE
SILVER-OXIDE
SILVER-SULFIDE
SILVER-SULFIDE:SOL-A
SILVER-SULFIDE:SOL-B
SILVER-SULFIDE:SOL-C
SILVER-SELENIDE
SILVER-SELENIDE:SOL-A
SILVER-SELENIDE:SOL-B
SILVER-SELENIDE:SOL-C
SILVER-SULFATE
SILVER-SULFATE:SOL-A
SILVER-SULFATE:SOL-B
SILVER-TELLURIDE
SILVER-TELLURIDE:SOL-A
SILVER-TELLURIDE:SOL-B
SILVER-TUNGSTATE
SILVER-ARSENATE
SILVER-BROMIDE
SILVER-BROMATE
SILVER-CHLORIDE
SILVER-CHLORATE
SILVER-CYANIDE
SILVER-FLUORIDE
SILVER-IODIDE
SILVER-IODIDE:SOL-A
SILVER-IODIDE:SOL-B
SILVER-NITRATE
SILVER-NITRATE:SOL-A
SILVER-NITRATE:SOL-B
SILVER-DIPHOSPHIDE
SILVER-TRIPHOSPHIDE
Databanks 1-117
INORGANIC Component
Databank: Al
1-118 Databanks
Alias
Name
AL
AL(OH)3-A
AL18B4O33
AL2(SO4)3
AL2BR6
AL2CA
AL2CE
AL2CL6
AL2F6
AL2I6
AL2LA
AL2O
AL2O2
AL2O3
AL2O3*3H2O
AL2O3*H2O
AL2O3*H2O-B
AL2O3-C
AL2O3-D
AL2O3-K
AL2S3
AL2SE2
AL2SE3
AL2SIO5
AL2SIO5-A
AL2SIO5-S
AL2TE3
AL2TIO5
AL2U
AL3NI
AL3NI2
AL3TH
AL3TI
AL3U
AL4B2O9
AL4C3
AL4CA
AL4CE
AL4MG2SI5O18
AL4U
AL5CO2
AL6SI2O13
ALAS
ALASO4
ALB12
ALB2
ALBR
ALUMINIUM
ALUMINIUM-HYDROXIDE-AMORPHOUS
18-ALUMINIUM-4-BORON-33-OXIDE
ALUMINIUM-SULFATE
DIALUMINIUM-HEXABROMIDE-GAS
2-ALUMINIUM-CALCIUM
2-ALUMINIUM-CERIUM
DIALUMINIUM-HEXACHLORIDE-GAS
DIALUMINIUM-HEXAFLUORIDE-GAS
DIALUMINIUM-HEXAIODIDE-GAS
2-ALUMINIUM-LANTHANUM
DIALUMINIUM-OXIDE-GAS
DIALUMINIUM-DIOXIDE-GAS
GIBBSITE
DIASPORE
BOEHMITE
ALUMINIUM-OXIDE-GAMMA
ALUMINIUM-OXIDE-DELTA
ALUMINIUM-OXIDE-KAPPA
ALUMINIUM-SULFIDE
DIALUMINIUM-DISELENIDE-GAS
ALUMINIUM-SELENIDE
ALUMINIUM-SILICATE-KYANITE
ALUMINIUM-SILICATE-ANDALUSITE
ALUMINIUM-SILICATE-SILLIMANITE
ALUMINIUM-TELLURIDE
DIALUMINIUM-TITANIUM-PENTAOXIDE
2-ALUMINIUM-URANIUM
3-ALUMINIUM-NICKEL
3-ALUMINIUM-2-NICKEL
3-ALUMINIUM-THORIUM
3-ALUMINIUM-TITANIUM
3-ALUMINIUM-URANIUM
4-ALUMINIUM-2-BORON-9-OXIDE
TETRAALUMINIUM-TRICARBIDE
4-ALUMINIUM-CALCIUM
4-ALUMINIUM-CERIUM
CORDIERITE
4-ALUMINIUM-URANIUM
5-ALUMINIUM-2-COBALT
MULLITE
ALUMINIUM-ARSENIDE
ALUMINIUM-ARSENATE
ALUMINIUM-DODECABORIDE
ALUMINIUM-DIBORIDE
ALUMINIUM-MONOBROMIDE-GAS
INORGANIC Component
Databank: As
Alias
Name
ALBR3
ALCL
ALCL2
ALCL3
ALCL3*6H2O
ALCO
ALF
ALF2
ALF3
ALF3:A
ALF3:B
ALH3
ALI3
ALLI
ALN
ALNI
ALNI3
ALO
ALO(OH)
ALO2
ALOCL
ALOF
ALOF2
ALP
ALPO4
ALPO4:A
ALPO4:B
ALPO4:C
ALS
ALSB
ALTE
ALTI
ALUMINIUM-BROMIDE
ALUMINIUM-MONOCHLORIDE-GAS
ALUMINIUM-DICHLORIDE-GAS
ALUMINIUM-CHLORIDE
ALUMINIUM-CHLORIDE-HEXAHYDRATE
ALUMINIUM-COBALT
ALUMINIUM-MONOFLUORIDE-GAS
ALUMINIUM-DIFLUORIDE-GAS
ALUMINIUM-FLUORIDE
ALUMINIUM-FLUORIDE:SOL-A
ALUMINIUM-FLUORIDE:SOL-B
ALUMINIUM-HYDRIDE-HEXAGONAL
ALUMINIUM-IODIDE
ALUMINIUM-LITHIUM
ALUMINIUM-NITRIDE
ALUMINIUM-NICKEL
ALUMINIUM-3-NICKEL
ALUMINIUM-MONOXIDE-GAS
BOEHMITE-ALO(OH)
ALUMINIUM-DIOXIDE-GAS
ALUMINIUM-CHLORIDE-OXIDE
ALUMINIUM-FLUORIDE-OXIDE-GAS
ALUMINIUM-DIFLUORIDE-OXIDE-GAS
ALUMINIUM-PHOSPHIDE
ALUMINIUM-PHOSPHATE
ALUMINIUM-PHOSPHATE:SOL-A
ALUMINIUM-PHOSPHATE:SOL-B
ALUMINIUM-PHOSPHATE:SOL-C
ALUMINIUM-MONOSULFIDE-GAS
ALUMINIUM-ANTIMONY
ALUMINIUM-MONOTELLURIDE-GAS
ALUMINIUM-TITANIUM
Alias
Name
AS
AS-2
AS-3
AS-4
AS2O3-A
AS2O3-C
AS2O5
AS2S2
AS2S3
AS2S3:1
AS2S3:2
AS2SE3
AS2TE3
ARSENIC
ARSENIC-DIATOMIC
ARSENIC-TRIATOMIC
ARSENIC-4-ATOMIC
ARSENIC-OXIDE-ARSENOLITE
ARSENIC-OXIDE-CLAUDETITE
DIARSENIC-PENTAOXIDE
DIARSENIC-DISULFIDE
ARSENIC-SULFIDE
ARSENIC-SULFIDE:SOL-1
ARSENIC-SULFIDE:SOL-2
ARSENIC-SELENIDE
ARSENIC-TELLURIDE
Databanks 1-119
INORGANIC Component
Databank: Au
1-120 Databanks
Alias
Name
AS4O6
AS4S4
AS4S4-R
ASBR3
ASCL3
ASF3
ASF5
ASH3
ASI3
ASO
ASS
ASSE
ASTE
TETRAARSENIC-HEXAOXIDE-GAS
TETRAARSENIC-TETRASULFIDE
TETRAARSENIC-TETRASULFIDE-REALGA
ARSENIC-BROMIDE-GAS
ARSENIC-CHLORIDE
ARSENIC-FLUORIDE
ARSENIC-PENTAFLUORIDE-GAS
ARSINE
ARSENIC-IODIDE
ARSENIC-MONOXIDE-GAS
ARSENIC-MONOSULFIDE-GAS
ARSENIC-MONOSELENIDE-GAS
ARSENIC-MONOTELLURIDE-GAS
Alias
Name
AU
AU(OH)3-P
AU2O3
AU2P3
AU3ASO4
AUBR
AUCD
AUCL
AUCL3
AUCU
AUCU3
AUCU3:11
AUCU3:A
AUCU:12
AUCU:22
AUCU:A
AUF3
AUI
AUS
AUSB2
AUSE
AUSE-B
AUSN
AUSN2
AUSN4
AUTE2
GOLD
GOLD-TRIHYDROXIDE-PRECIPITATED
DIGOLD-TRIOXIDE
DIGOLD-TRIPHOSPHIDE
TRIGOLD-ARSENATE
GOLD-MONOBROMIDE
GOLD-CADMIUM
GOLD-MONOCHLORIDE
GOLD-TRICHLORIDE
GOLD-COPPER
GOLD-3-COPPER
GOLD-3-COPPER:SA-11
GOLD-3-COPPER:SOL-A
GOLD-COPPER:SA-12
GOLD-COPPER:SA-22
GOLD-COPPER:SOL-A
GOLD-TRIFLUORIDE
GOLD-MONOIODIDE
GOLD-MONOSULFIDE-GAS
GOLD-2-ANTIMONY
GOLD-MONOSELENIDE-ALPHA
GOLD-MONOSELENIDE-BETA
GOLD-TIN
GOLD-2-TIN
GOLD-4-TIN
GOLD-DITELLURIDE
INORGANIC Component
Databank: B
Alias
Name
B-B
B-GL
B-I
B-I2
B-I3
B2H6
B2O3
B2O3-GL
B2S3
B4C
BBR
BBR2
BBR3
BCL
BCL2
BCL3
BF
BF2
BF3
BH
BN
BOCL
BP
BS
BORON-BETA
BORON-GLASS
BORON-MONOIODIDE-GAS
BORON-DIIODIDE-GAS
BORON-TRIIODIDE-GAS
DIBORANE
BORON-OXIDE
BORON-OXIDE-GLASS
DIBORON-TRISULFIDE
TETRABORON-MONOCARBIDE
BORON-MONOBROMIDE-GAS
BORON-DIBROMIDE-GAS
BORON-TRIBROMIDE
BORON-MONOCHLORIDE-GAS
BORON-DICHLORIDE-GAS
BORON-TRICHLORIDE
BORON-MONOFLUORIDE-GAS
BORON-DIFLUORIDE-GAS
BORON-TRIFLUORIDE
BORON-MONOHYDRIDE-GAS
BORON-NITRIDE
BORON-CHLORIDE-OXIDE-GAS
BORON-MONOPHOSPHIDE
BORON-MONOSULFIDE-GAS
INORGANIC Component
Databank: Ba
Alias
Name
BA
BA(NO3)2
BA(OH)2
BA(OH)2:A
BA(OH)2:B
BA2SI3O8
BA2SIO4
BA2SN
BA2TIO4
BA3(ASO4)2
BA3AL2O6
BA3N2
BAAL2O4
BABR2
BAC2
BACL
BACL2
BACL2:1
BACL2:2
BACO3
BACO3:A
BARIUM
BARIUM-NITRATE
BARIUM-HYDROXIDE
BARIUM-HYDROXIDE:SOL-A
BARIUM-HYDROXIDE:SOL-B
DIBARIUM-TRISILICATE
BARIUM-ORTHOSILICATE
2-BARIUM-TIN
DIBARIUM-TITANIUM-TETRAOXIDE
BARIUM-ARSENATE
TRIBARIUM-DIALUMINIUM-HEXAOXIDE
TRIBARIUM-DINITRIDE
BARIUM-DIALUMINIUM-TETRAOXIDE
BARIUM-BROMIDE
BARIUM-DICARBIDE
BARIUM-MONOCHLORIDE-GAS
BARIUM-CHLORIDE
BARIUM-CHLORIDE:SOL-1
BARIUM-CHLORIDE:SOL-2
BARIUM-CARBONATE
BARIUM-CARBONATE:SOL-A
Databanks 1-121
INORGANIC Component
Databank: Be
Alias
Name
BACO3:B
BACO3:C
BACRO4
BAF
BAF2
BAF2:A
BAF2:B
BAF2:C
BAH
BAH2
BAH2:1
BAH2:2
BAHFO3
BAI
BAI2
BAMOO4
BAO
BAO2
BAS
BASI2O5
BASIO3
BASO4
BASO4:1
BASO4:2
BATE
BATIO3
BATIO3:1
BATIO3:2
BATIO3:3
BAUO4
BAWO4
BAZRO3
BARIUM-CARBONATE:SOL-B
BARIUM-CARBONATE:SOL-C
BARIUM-CHROMATE
BARIUM-MONOFLUORIDE-GAS
BARIUM-FLUORIDE
BARIUM-FLUORIDE:SOL-A
BARIUM-FLUORIDE:SOL-B
BARIUM-FLUORIDE:SOL-C
BARIUM-MONOHYDRIDE-GAS
BARIUM-HYDRIDE
BARIUM-HYDRIDE:SOL-1
BARIUM-HYDRIDE:SOL-2
BARIUM-HAFNIUM-TRIOXIDE
BARIUM-MONOIODIDE-GAS
BARIUM-IODIDE
BARIUM-MOLYBDATE
BARIUM-OXIDE
BARIUM-PEROXIDE
BARIUM-SULFIDE
BARIUM-DISILICATE
BARIUM-METASILICATE
BARIUM-SULFATE
BARIUM-SULFATE:SOL-1
BARIUM-SULFATE:SOL-2
BARIUM-TELLURIDE
BARIUM-TITANIUM-TRIOXIDE
BARIUM-TITANIUM-TRIOXIDE:SOL-1
BARIUM-URANATE
BARIUM-TUNGSTATE
BARIUM-ZIRCONIUM-TRIOXIDE
Alias
Name
BE
BE(OH)2
BE(OH)2-B
BE2C
BE2CL4
BE2SIO4
BE3(ASO4)2
BE3B2O6
BE3N2
BEAL2O4
BEAL6O10
BERYLLIUM
BERYLLIUM-HYDROXIDE-ALPHA
BERYLLIUM-HYDROXIDE-BETA
DIBERYLLIUM-CARBIDE
DIBERYLLIUM-TETRACHLORIDE-GAS
BERYLLIUM-SILICATE-PHENACITE
BERYLLIUM-ARSENATE
TRIBERYLLIUM-DIBORATE
ALPHA-BERYLLIUM-NITRIDE
BERYLLIUM-DIALUMINIUM-TETRAOXIDE
BERYLLIUM-HEXAALUMINIUMDECAOXID
BERYLLIUM-MONOBROMIDE-GAS
BEBR
1-122 Databanks
INORGANIC Component
Databank: Bi
Alias
Name
BEBR2
BECL
BECL2
BECL2:A
BECL2:B
BEF
BEF2
BEF2:2
BEF2:A
BEH
BEI
BEI2
BEO
BEO:A
BEO:B
BEOH
BES
BESO4
BESO4*2H2O
BESO4*4H2O
BESO4:A
BESO4:B
BESO4:C
BEWO4
BERYLLIUM-BROMIDE
BERYLLIUM-MONOCHLORIDE-GAS
BERYLLIUM-CHLORIDE
BERYLLIUM-CHLORIDE:SOL-A
BERYLLIUM-CHLORIDE:SOL-B
BERYLLIUM-MONOFLUORIDE-GAS
BERYLLIUM-FLUORIDE
BERYLLIUM-FLUORIDE:SOL-2
BERYLLIUM-FLUORIDE:SOL-A
BERYLLIUM-MONOHYDRIDE-GAS
BERYLLIUM-MONOIODIDE-GAS
BERYLLIUM-IODIDE
BERYLLIUM-OXIDE
BERYLLIUM-OXIDE:SOL-A
BERYLLIUM-OXIDE:SOL-B
BERYLLIUM-MONOHYDROXIDE-GAS
BERYLLIUM-SULFIDE
BERYLLIUM-SULFATE
BERYLLIUM-SULFATE-DIHYDRATE
BERYLLIUM-SULFATE-TETRAHYDRATE
BERYLLIUM-SULFATE:SOL-A
BERYLLIUM-SULFATE:SOL-B
BERYLLIUM-SULFATE:SOL-C
BERYLLIUM-TUNGSTATE
Alias
Name
BI
BI2
BI2(SO4)3
BI2O3
BI2O3:A
BI2O3:B
BI2S3
BI2SE3
BI2TE3
BI2U
BI4U3
BIASO4
BIBR
BIBR3
BIBR3:A
BIBR3:B
BICL
BICL3
BIF
BIF3
BII
BISMUTH
BISMUTH-DIATOMIC-GAS
BISMUTH-SULFATE
BISMUTH-OXIDE
BISMUTH-OXIDE:SOL-A
BISMUTH-OXIDE:SOL-B
BISMUTH-SULFIDE
BISMUTH-SELENIDE
BISMUTH-TELLURIDE
2-BISMUTH-URANIUM
4-BISMUTH-3-URANIUM
BISMUTH-ARSENATE
BISMUTH-MONOBROMIDE-GAS
BISMUTH-BROMIDE
BISMUTH-BROMIDE:SOL-A
BISMUTH-BROMIDE:SOL-B
BISMUTH-MONOCHLORIDE-GAS
BISMUTH-CHLORIDE
BISMUTH-MONOFLUORIDE-GAS
BISMUTH-FLUORIDE
BISMUTH-MONOIODIDE
Databanks 1-123
INORGANIC Component
Databank: C
1-124 Databanks
Alias
Name
BII3
BII:A
BII:B
BIK3
BIK3:A
BIK3:B
BIMN
BINI
BIOCL
BIU
BISMUTH-IODIDE
BISMUTH-MONOIODIDE:SOL-A
BISMUTH-MONOIODIDE:SOL-B
BISMUTH-3-POTASSIUM
BISMUTH-3-POTASSIUM:SOL-A
BISMUTH-3-POTASSIUM:SOL-B
BISMUTH-MANGANESE
BISMUTH-NICKEL
BISMUTH-CHLORIDE-OXIDE
BISMUTH-URANIUM
Alias
Name
C
C-2
C-3
C-D
C-F
C-S
C2CL4
C2CL6
C2F4
C2F6
C2H2
C2H2O
C2H3CL
C2H4
C2H4O-1
C2H5CL
C2H6
C2N2
C3H4-1
C3H4-2
C3H6-1
C3H6-2
C3H8
C4H10-1
C4H6-1
C4H8-4
C4H8-5
C5H10-1
C5H12-1
C5H8-1
C5H8-2
C6H6O
C8H14-D1
C9H16
CBR
CARBON-GRAPHITE
CARBON-DIATOMIC-GAS
CARBON-TRIATOMIC-GAS
CARBON-DIAMOND
FLUOROMETHYLIDYNE-GAS
CARBON-MONOSULFIDE-GAS
TETRACHLOROETHYLENE
HEXACHLOROETHANE
PERFLUOROETHENE
PERFLUOROETHANE
ACETYLENE
KETENE
VINYL-CHLORIDE
ETHYLENE
ACETALDEHYDE
ETHYL-CHLORIDE
ETHANE
CYANOGEN
PROPADIENE
METHYL-ACETYLENE
CYCLOPROPANE
PROPYLENE
PROPANE
N-BUTANE
1-BUTYNE
CYCLOBUTANE
ISOBUTYLENE
CYCLOPENTANE
N-PENTANE
CYCLOPENTENE
1,2-PENTADIENE
PHENOL
1-OCTYNE
NON-1-YNE
BROMOMETHYLIDYNE-GAS
INORGANIC Component
Databank: Ca
Alias
Name
CBR4
CCL
CCL2
CCL2O
CCL3
CF2
CF3
CF4
CH
CH2
CH2CL2
CH2O
CH3
CH3CL
CH4
CHCL3
CHN
CHO
CN
CN2
CO
CO2
COCL
COF
COF2-G
COS
CS2
TETRABROMOMETHANE-GAS
CHLOROMETHYLIDYNE-GAS
DICHLOROMETHYLENE-GAS
PHOSGENE
TRICHLOROMETHYL-GAS
DIFLUOROMETHYLENE-GAS
TRIFLUOROMETHYL-GAS
CARBON-TETRAFLUORIDE
METHYLIDYNE-GAS
METHYLENE-GAS
DICHLOROMETHANE
FORMALDEHYDE
METHYL-GAS
METHYL-CHLORIDE
METHANE
CHLOROFORM
HYDROGEN-CYANIDE
FORMYL-GAS
CYANO-GAS
CARBON-NITRIDE-NCN-RADICAL-GAS
CARBON-MONOXIDE
CARBON-DIOXIDE
CARBONYL-CHLORIDE-GAS
CARBONYL-FLUORIDE-GAS
CARBONIC-DIFLUORIDE-GAS
CARBONYL-SULFIDE
CARBON-DISULFIDE
Alias
Name
CA
CA(NO3)2
CA(OCL)CL
CA(OH)2
CA(VO3)2
CA12AL14O33
CA2AL2O5
CA2AL2SIO7
CA2B2O5
CA2B2O5:A
CA2B2O5:B
CA2FE2O5
CA2MGSI2O7
CA2P2O7
CA2P2O7:A
CA2P2O7:B
CA2P2O7:C
CA2PB
CALCIUM
CALCIUM-NITRATE
CALCIUM-CHLORIDE-HYPOCHLORITE
CALCIUM-HYDROXIDE
CALCIUM-METAVANADATE
(CAO)12*7AL2O3
(CAO)2*AL2O3
GEHLENITE
DICALCIUM-DIBORATE
DICALCIUM-DIBORATE:SOL-A
DICALCIUM-DIBORATE:SOL-B
DICALCIUM-DIIRON-PENTAOXIDE
AKERMANITE
CALCIUM-PYROPHOSPHATE
CALCIUM-PYROPHOSPHATE:SOL-A
CALCIUM-PYROPHOSPHATE:SOL-B
CALCIUM-PYROPHOSPHATE:SOL-C
2-CALCIUM-LEAD
Databanks 1-125
1-126 Databanks
Alias
Name
CA2SI
CA2SI3*5:2W
CA2SIO4
CA2SIO4*7:6W
CA2SIO4-B
CA2SIO4:A
CA2SIO4:A1
CA2SIO4:C
CA2SN
CA2V2O7
CA3(ASO4)2
CA3(PO4)2
CA3(VO4)2
CA3AL2O6
CA3AL2O6*6W
CA3AL2SI3O12
CA3B2O6
CA3MGSI2O8
CA3N2
CA3P2
CA3PO4-2:1
CA3PO4-2:A
CA3PO4-2:B
CA3SB2
CA3SI2O7
CA3SI2O7*3W
CA3SIO5
CA3TI2O7
CA3WO6
CA4SI3*3:2W
CA4TI3O10
CA5SI6*11:2W
CA5SI6*21:2W
CA5SI6O17*3W
CA6SI6O18*W
CA:A
CA:B
CAAL2O4
CAAL2SI2O8
CAAL2SIO6
CAAL4O7
CAB2O4
CAB4O7
CABR
CABR2
CAC2
CAC2:A
2-CALCIUM-SILICON
2-CALCIUM-3-SILICATE-5:2-HYDRATE
OLIVINE
CALCIUM-ORTHOSILICATE-7:6-HYDRAT
LARNITE
OLIVINE:SOL-A
OLIVINE:SOL-A1
OLIVINE:SOL-C
2-CALCIUM-TIN
CALCIUM-PYROVANADATE
CALCIUM-ARSENATE
CALCIUM-PHOSPHATE
CALCIUM-ORTHOVANADATE
(CAO)3*AL2O3
(CAO)3*AL2O3*6H2O
GROSSULAR
TRICALCIUM-DIBORATE
MERWINITE
TRICALCIUM-DINITRIDE
TRICALCIUM-DIPHOSPHIDE
CALCIUM-PHOSPHATE:SOL-1
CALCIUM-PHOSPHATE:SOL-A
CALCIUM-PHOSPHATE:SOL-B
3-CALCIUM-2-ANTIMONY
TRICALCIUM-DISILICATE-RANKINITE
TRICALCIUM-DISILICATE-TRIHYDRATE
TRICALCIUM-SILICATE
(CAO)3*2TIO2
CALCIUM-ORTHOTUNGSTATE
4-CALCIUM-3-SILICATE-3:2-HYDRATE
4-CALCIUM-3-TITANIUM-10-OXIDE
5-CALCIUM-6-SILICATE-5.5-HYDRA
5-CALCIUM-6-SILICATE-10.5-HYDR
5-CALCIUM-6-SILICATE-3-HYDRATE
6-CALCIUM-6-SILICATE-HYDRATE
CALCIUM:SOL-A
CALCIUM:SOL-B
CAO*AL2O3
ANORTHITE
PYROXENE
CAO*2AL2O3
CALCIUM-DIBORATE
CALCIUM-TETRABORATE
CALCIUM-MONOBROMIDE-GAS
CALCIUM-BROMIDE
CALCIUM-DICARBIDE
CALCIUM-DICARBIDE:SOL-A
Alias
Name
CAC2:B
CACL
CACL2
CACN2
CACO3
CACO3-A
CAF
CAF2
CAF2:A
CAF2:B
CAFE2O4
CAH
CAH2
CAH2:A
CAH2:B
CAHFO3
CAHPO4
CAHPO4*2H2O
CALCIUM-DICARBIDE:SOL-B
CALCIUM-MONOCHLORIDE-GAS
CALCIUM-CHLORIDE
CALCIUM-CYANAMIDE
CALCIUM-CARBONATE-ARAGONITE
CALCIUM-MONOFLUORIDE-GAS
CALCIUM-FLUORIDE
CALCIUM-FLUORIDE:SOL-A
CALCIUM-FLUORIDE:SOL-B
CALCIUM-DIIRON-TETRAOXIDE
CALCIUM-MONOHYDRIDE-GAS
CALCIUM-HYDRIDE
CALCIUM-HYDRIDE:SOL-A
CALCIUM-HYDRIDE:SOL-B
CALCIUM-HAFNIUM-TRIOXIDE
CALCIUM-HYDROGEN-PHOSPHATE
CALCIUM-HYDROGEN-PHOSPHATEDIHYD
CAI
CALCIUM-MONOIODIDE-GAS
CAI2
CALCIUM-IODIDE
CAMG(CO3)2
DOLOMITE
CAMG2
CALCIUM-2-MAGNESIUM
CAMGO2
CALCIUM-MAGNESIUM-DIOXIDE
CAMGSI2O6
DIOPSIDE
CAMGSIO4
MONTICELLITE
CAMOO4
CALCIUM-MOLYBDATE
CANO3*2*2H2O CALCIUM-NITRATE-DIHYDRATE
CANO3*2*3H2O CALCIUM-NITRATE-TRIHYDRATE
CANO3*2*4H2O CALCIUM-NITRATE-TETRAHYDRATE
CAO
CALCIUM-OXIDE
CAO2
CALCIUM-PEROXIDE
CAOH
CALCIUM-MONOHYDROXIDE-GAS
CAPB
CALCIUM-LEAD
CAS
CALCIUM-SULFIDE
CASE
CALCIUM-SELENIDE
CASI
CALCIUM-SILICON
CASI2
CALCIUM-2-SILICON
CASI2O5*2H2O CALCIUM-2-SILICATE-2-HYDRATE
CASIO3
WOLLASTONITE
CASIO3-B
PSEUDOWOLLASTONITE
CASN
CALCIUM-TIN
CASO3
CALCIUM-SULFITE
CASO3*1:2W
CALCIUM-SULFITE-HEMIHYDRATE
CASO4
CALCIUM-SULFATE
CASO4*1:2W:A CALCIUM-SULFATE-HEMIHYDRATE:S-A
Databanks 1-127
INORGANIC Component
Databank: Cd
1-128 Databanks
Alias
Name
CASO4*2H2O
CASO4:1
CASO4:2
CATE
CATIO3-P
CATIO3:A
CATIO3:B
CATISIO5
CAUO4
CAUO4:A
CAUO4:B
CAWO4
CAZN
CAZN2
CAZRO3
CALCIUM-SULFATE-DIHYDRATEGYPSUM
CALCIUM-SULFATE:SOL-1
CALCIUM-SULFATE:SOL-2
CALCIUM-TELLURIDE
PEROVSKITE
PEROVSKITE:SOL-A
PEROVSKITE:SOL-B
SPHENE
CALCIUM-URANATE
CALCIUM-URANATE:SOL-A
CALCIUM-URANATE:SOL-B
CALCIUM-TUNGSTATE
CALCIUM-ZINC
CALCIUM-2-ZINC
CALCIUM-ZIRCONIUM-TRIOXIDE
Alias
Name
CD
CD(OH)2
CD11U
CD3(ASO4)2
CD3AS2
CDAL2O4
CDBR2
CDCL2
CDCO3
CDF2
CDGA2O4
CDI2
CDO
CDS
CDSB
CDSE
CDSEO3
CDSIO3
CDSO4
CDSO4:1
CDSO4:A
CDSO4:B
CDTE
CDTIO3
CDTIO3:A
CDTIO3:B
CDWO4
CADMIUM
CADMIUM-HYDROXIDE
11-CADMIUM-URANIUM
CADMIUM-ARSENATE
CADMIUM-ARSENIDE
CADMIUM-DIALUMINIUM-TETRAOXIDE
CADMIUM-BROMIDE
CADMIUM-CHLORIDE
CADMIUM-CARBONATE
CADMIUM-FLUORIDE
CADMIUM-DIGALLIUM-TETRAOXIDE
CADMIUM-IODIDE
CADMIUM-OXIDE
CADMIUM-SULFIDE
CADMIUM-ANTIMONY
CADMIUM-SELENIDE
CADMIUM-SELENITE
CADMIUM-METASILICATE
CADMIUM-SULFATE
CADMIUM-SULFATE:SOL-1
CADMIUM-SULFATE:SOL-A
CADMIUM-SULFATE:SOL-B
CADMIUM-TELLURIDE
CADMIUM-TITANIUM-TRIOXIDE
CADMIUM-TITANIUM-TRIOXIDE:SOL-A
CADMIUM-TITANIUM-TRIOXIDE:SOL-B
CADMIUM-TUNGSTATE
INORGANIC Component
Databank: Ce
Alias
Name
CE
CE2(SO4)3
CE2C3
CE2O3
CE2S3
CE3S4
CE:C
CE:D
CEALO3
CEB6
CEBR3
CEC2
CECL3
CECRO3
CEF3
CEH2
CEI3
CEMG
CEN
CEO
CEO2
CES
CETE
CERIUM
CERIUM-SULFATE
DICERIUM-TRICARBIDE
CERIUM-OXIDE
CERIUM-SULFIDE
TRICERIUM-TETRASULFIDE
CERIUM:SOL-C
CERIUM:SOL-D
CERIUM-ALUMINIUM-TRIOXIDE
CERIUM-HEXABORIDE
CERIUM-BROMIDE
CERIUM-DICARBIDE
CERIUM-CHLORIDE
CERIUM-CHROMIUM-TRIOXIDE
CERIUM-FLUORIDE
CERIUM-DIHYDRIDE
CERIUM-IODIDE
CERIUM-MAGNESIUM
CERIUM-NITRIDE
CERIUM-MONOXIDE-GAS
CERIUM-DIOXIDE
CERIUM-MONOSULFIDE
CERIUM-MONOTELLURIDE-GAS
INORGANIC Component
Databank: Cl
Alias
Name
CL
CL2
CL2O-G
CLF
CLF3
CLO
CHLORINE-MONATOMIC-GAS
CHLORINE
DICHLORINE-MONOXIDE-GAS
CHLORINE-MONOFLUORIDE-GAS
CHLORINE-TRIFLUORIDE-GAS
CHLORINE-MONOXIDE-GAS
INORGANIC Component
Databank: Co
Alias
Name
CO(OH)2
CO-CL
CO-CL2
CO-F2
CO2B
CO2CL4
CO2P
CO2SIO4
CO2TIO4
CO3(ASO4)2
CO3N
CO3O4
CO3S4
CO:A
COBALT-HYDROXIDE-PRECIPITATED
COBALT-MONOCHLORIDE-GAS
COBALT-DICHLORIDE
COBALT-DIFLUORIDE
DICOBALT-BORIDE
DICOBALT-TETRACHLORIDE-GAS
DICOBALT-PHOSPHIDE
DICOBALT-SILICATE
DICOBALT-TITANIUM-TETRAOXIDE
COBALT-ARSENATE
TRICOBALT-NITRIDE
TRICOBALT-TETRAOXIDE
TRICOBALT-TETRASULFIDE
COBALT:SOL-A
Databanks 1-129
INORGANIC Component
Databank: Cr
1-130 Databanks
Alias
Name
CO:B
COB
COBALT
COBR2
COBR2:1
COBR2:21
COCL3
COCO3
COCR2O4
COF3
COFE2O4
COFE2O4:1
COFE2O4:11
COI2
COO
COP
COP3
COS0.89
COS2
COSB0.98
COSB2
COSB3
COSEO3
COSN
COSO4
COSO4:A
COSO4:B
COTIO3
COWO4
COWO4:A
COWO4:B
COBALT:SOL-B
COBALT-MONOBORIDE
COBALT
COBALT-DIBROMIDE
COBALT-DIBROMIDE:SOL-1
COBALT-DIBROMIDE:SOL-21
COBALT-TRICHLORIDE-GAS
COBALT-CARBONATE
COBALT-DICHROMIUM-TETRAOXIDE
COBALT-TRIFLUORIDE
COBALT-DIIRON-TETRAOXIDE
COBALT-DIIRON-TETRAOXIDE:SOL-1
COBALT-DIIRON-TETRAOXIDE:SOL-11
COBALT-DIIODIDE
COBALT-MONOXIDE
COBALT-MONOPHOSPHIDE
COBALT-TRIPHOSPHIDE
COBALT-0.89-SULFIDE
COBALT-DISULFIDE
COBALT-0.98-ANTIMONY
COBALT-2-ANTIMONY
COBALT-3-ANTIMONY
COBALT-SELENITE
COBALT-TIN
COBALT-SULFATE
COBALT-SULFATE:SOL-A
COBALT-SULFATE:SOL-B
COBALT-TITANIUM-TRIOXIDE
COBALT-TUNGSTATE
COBALT-TUNGSTATE:SOL-A
COBALT-TUNGSTATE:SOL-B
Alias
Name
CR
CR(CO)6
CR2(SO4)3
CR23C6
CR2FEO4
CR2MGO4
CR2N
CR2NB
CR2NIO4
CR2O3
CR2TA
CR3(ASO4)2
CR3C2
CR3SI
CHROMIUM
CHROMIUM-HEXACARBONYL
CHROMIUM-SULFATE
23-CHROMIUM-6-CARBIDE
DICHROMIUM-IRON-TETRAOXIDE
DICHROMIUM-MAGNESIUM-TETRAOXIDE
DICHROMIUM-NITRIDE
2-CHROMIUM-NIOBIUM
DICHROMIUM-NICKEL-TETRAOXIDE
ESKOLAITE
2-CHROMIUM-TANTALUM
TRICHROMIUM-ARSENATE
3-CHROMIUM-SILICON
INORGANIC Component
Databank: Cs
Alias
Name
CR5SI3
CR7C3
CRASO4
CRB
CRB2
CRBR2
CRBR3
CRBR4
CRCL2
CRCL3
CRCL4
CRF2
CRF3
CRF4
CRI2
CRI3
CRN
CRNAO2
CRO
CRO2
CRO2CL2
CRO3
CRS
CRS1.17
CRS1.17:A
CRS1.17:B
CRS1.17:C
CRS:1
CRS:2
CRSI
CRSI2
5-CHROMIUM-3-SILICON
CHROMIUM-ARSENATE
CHROMIUM-MONOBORIDE
CHROMIUM-DIBORIDE
CHROMIUM-DIBROMIDE
CHROMIUM-TRIBROMIDE
CHROMIUM-TETRABROMIDE-GAS
CHROMIUM-DICHLORIDE
CHROMIUM-TRICHLORIDE
CHROMIUM-TETRACHLORIDE-GAS
CHROMIUM-DIFLUORIDE
CHROMIUM-TRIFLUORIDE
CHROMIUM-TETRAFLUORIDE
CHROMIUM-DIIODIDE
CHROMIUM-TRIIODIDE
CHROMIUM-NITRIDE
CHROMIUM-SODIUM-DIOXIDE
CHROMIUM-MONOXIDE-GAS
CHROMIUM-DIOXIDE
CHROMIUM-DICHLORIDE-DIOXIDE-GAS
CHROMIUM-TRIOXIDE
CHROMIUM-MONOSULFIDE
CHROMIUM-1.17-SULFIDE
CHROMIUM-1.17-SULFIDE:SOL-A
CHROMIUM-1.17-SULFIDE:SOL-B
CHROMIUM-1.17-SULFIDE:SOL-C
CHROMIUM-MONOSULFIDE:SOL-1
CHROMIUM-MONOSULFIDE:SOL-2
CHROMIUM-SILICON
CHROMIUM-2-SILICON
Alias
Name
CS
CS-2
CS2(OH)2
CS2CL2
CS2CO3
CS2F2
CS2O
CS2O3
CS2SO4
CS2SO4:A
CS2SO4:B
CS3ASO4
CSBR
CSCL
CESIUM
CESIUM-DIATOMIC-GAS
DICESIUM-DIHYDROXIDE-GAS
DICESIUM-DICHLORIDE-GAS
CESIUM-CARBONATE
DICESIUM-DIFLUORIDE-GAS
CESIUM-OXIDE
DICESIUM-TRIOXIDE
CESIUM-SULFATE
CESIUM-SULFATE:SOL-A
CESIUM-SULFATE:SOL-B
CESIUM-ARSENATE
CESIUM-BROMIDE
CESIUM-CHLORIDE
Databanks 1-131
INORGANIC Component
Databank: Cu
1-132 Databanks
Alias
Name
CSCL:A
CSCL:B
CSF
CSI
CSO
CSO2
CSOH
CSOH:A
CSOH:B
CSOH:C
CESIUM-CHLORIDE:SOL-A
CESIUM-CHLORIDE:SOL-B
CESIUM-FLUORIDE
CESIUM-IODIDE
CESIUM-MONOXIDE-GAS
CESIUM-DIOXIDE
CESIUM-HYDROXIDE
CESIUM-HYDROXIDE:SOL-A
CESIUM-HYDROXIDE:SOL-B
CESIUM-HYDROXIDE:SOL-C
Alias
Name
CU
CU(OH)2
CU2MG
CU2O
CU2OSO4
CU2S
CU2S:A
CU2S:B
CU2S:C
CU2SB
CU2SB:1
CU2SB:11
CU2SE
CU2SE:A
CU2SE:B
CU2SO4
CU2TE
CU2TE:A
CU2TE:B
CU2TE:C
CU2TE:D
CU2TE:E
CU2TE:Z
CU3(ASO4)2
CU3AS
CU3ASO4
CU3BR3
CU3CL3
CU3I3
CU3P
CU5FES4
CU5FES4:A
CU5FES4:B
CU5FES4:C
CUBR
COPPER
COPPER-HYDROXIDE
2-COPPER-1-MAGNESIUM
DICOPPER-OXIDE
DICOPPER-OXIDE-SULFATE
DICOPPER-SULFIDE
DICOPPER-SULFIDE:SOL-A
DICOPPER-SULFIDE:SOL-B
DICOPPER-SULFIDE:SOL-C
2-COPPER-ANTIMONY
2-COPPER-ANTIMONY:SOL-1
2-COPPER-ANTIMONY:SOL-11
DICOPPER-SELENIDE
DICOPPER-SELENIDE:SOL-A
DICOPPER-SELENIDE:SOL-B
DICOPPER-SULFATE
DICOPPER-TELLURIDE
DICOPPER-TELLURIDE:SOL-A
DICOPPER-TELLURIDE:SOL-B
DICOPPER-TELLURIDE:SOL-C
DICOPPER-TELLURIDE:SOL-D
DICOPPER-TELLURIDE:SOL-E
DICOPPER-TELLURIDE:SOL-Z
TRICOPPER-DIARSENATE
TRICOPPER-ARSENIDE
TRICOPPER-ARSENATE
TRICOPPER-TRIBROMIDE-GAS
TRICOPPER-TRICHLORIDE-GAS
TRICOPPER-TRIIODIDE-GAS
TRICOPPER-PHOSPHIDE
PENTACOPPER-IRON-TETRASULFIDE
PENTACOPPER-IRON-TETRASULFIDE:A
PENTACOPPER-IRON-TETRASULFIDE:B
PENTACOPPER-IRON-TETRASULFIDE:C
COPPER-MONOBROMIDE
Alias
Name
CUBR2
CUBR:A
CUBR:B
CUBR:C
CUCL
CUCL2
CUCL2:A
CUCL2:B
CUCL:A
CUCL:B
CUCN
CUF
CUF2
CUFE2O4
CUFE2O4:A
CUFE2O4:B
CUFE2O4:C
CUFEO2
CUFEO2:A
CUFEO2:B
CUFES2
CUFES2:A
CUFES2:B
CUFES2:C
CUI
CUI:A
CUI:B
CUI:C
CUMG2
CUMOO4
CUO
CUP2
CUS
CUSE
CUSE:B
CUSE:O
CUSEO3
CUSO4
CUSO4*3H2O
CUSO4*5H2O
CUSO4*H2O
CUTE
COPPER-DIBROMIDE
COPPER-MONOBROMIDE:SOL-A
COPPER-MONOBROMIDE:SOL-B
COPPER-MONOBROMIDE:SOL-C
CUPROUS-CHLORIDE
COPPER-DICHLORIDE
COPPER-DICHLORIDE:SOL-A
COPPER-DICHLORIDE:SOL-B
COPPER-MONOCHLORIDE:SOL-A
COPPER-MONOCHLORIDE:SOL-B
COPPER-CYANIDE
COPPER-MONOFLUORIDE
COPPER-DIFLUORIDE
COPPER-DIIRON-TETRAOXIDE
COPPER-DIIRON-TETRAOXIDE:SOL-A
COPPER-DIIRON-TETRAOXIDE:SOL-B
COPPER-DIIRON-TETRAOXIDE:SOL-C
COPPER-IRON-DIOXIDE
COPPER-IRON-DIOXIDE:SOL-A
COPPER-IRON-DIOXIDE:SOL-B
COPPER-IRON-DISULFIDE
COPPER-IRON-DISULFIDE:SOL-A
COPPER-IRON-DISULFIDE:SOL-B
COPPER-IRON-DISULFIDE:SOL-C
COPPER-MONOIODIDE
COPPER-MONOIODIDE:SOL-A
COPPER-MONOIODIDE:SOL-B
COPPER-MONOIODIDE:SOL-C
1-COPPER-2-MAGNESIUM
COPPER-MOLYBDATE
COPPER-MONOXIDE
COPPER-DIPHOSPHIDE
COPPER-SULFIDE
COPPER-SELENIDE
COPPER-SELENIDE:SOL-B
COPPER-SELENIDE:SOL-O
COPPER-SELENITE
COPPER-SULFATE
COPPER-SULFATE-TRIHYDRATE
COPPER-SULFATE-PENTAHYDRATE
COPPER-SULFATE-MONOHYDRATE
COPPER-TELLURIDE
Databanks 1-133
INORGANIC Component
Databank: Dy
Alias
Name
DY
DY2O3
DY:A
DY:B
DYBR3
DYCL3
DYCL3*6H2O
DYF3
DYI3
DYSPROSIUM
DYSPROSIUM-OXIDE
DYSPROSIUM:SOL-A
DYSPROSIUM:SOL-B
DYSPROSIUM-BROMIDE-GAS
DYSPROSIUM-CHLORIDE
DYSPROSIUM-CHLORIDE-HEXAHYDRATE
DYSPROSIUM-FLUORIDE
DYSPROSIUM-IODIDE-GAS
INORGANIC Component
Databank: Er
Alias
Name
ER
ER2O3
ERBR3
ERCL3
ERCL3*6H2O
ERF3
ERF3:A
ERF3:B
ERI3
ERBIUM
ERBIUM-OXIDE-CUBIC
ERBIUM-BROMIDE-GAS
ERBIUM-CHLORIDE
ERBIUM-CHLORIDE-HEXAHYDRATE
ERBIUM-FLUORIDE
ERBIUM-FLUORIDE:SOL-A
ERBIUM-FLUORIDE:SOL-B
ERBIUM-IODIDE-GAS
INORGANIC Component
Databank: Eu
Alias
Name
EU
EU2O3
EU2O3-M
EU2O3-M:M1
EU2O3-M:M2
EUBR2
EUBR3
EUCL3
EUCL3*6H2O
EUF3
EUF3:A
EUF3:B
EUS
EUROPIUM
EUROPIUM-OXIDE-CUBIC
EUROPIUM-OXIDE-MONOCLINIC
EUROPIUM-OXIDE-MONOCLINIC:SOL-M1
EUROPIUM-OXIDE-MONOCLINIC:SOL-M2
EUROPIUM-DIBROMIDE
EUROPIUM-BROMIDE
EUROPIUM-CHLORIDE
EUROPIUM-CHLORIDE-HEXAHYDRATE
EUROPIUM-FLUORIDE
EUROPIUM-FLUORIDE:SOL-A
EUROPIUM-FLUORIDE:SOL-B
EUROPIUM-MONOSULFIDE
INORGANIC Component
Databank: Fe
Alias
Name
FE
FE(CO)5
FE(OH)2
FE(OH)3
FE(VO3)2
FE0.877S
FE0.877S:A
FE0.877S:B
FE0.947O
FE2(SO4)3
FE2B
IRON
IRON-PENTACARBONYL
IRON-DIHYDROXIDE
IRON-TRIHYDROXIDE
IRON-VANADATE
PYRRHOTITE
PYRRHOTITE:SOL-A
PYRRHOTITE:SOL-B
WUESTITE
DIIRON-TRISULFATE
DIIRON-BORIDE
1-134 Databanks
Alias
Name
FE2BR4
FE2CL4
FE2CL6
FE2I4
FE2MGO4
FE2MNO4
FE2MNO4:1
FE2MNO4:2
FE2NIO4
FE2NIO4:A
FE2NIO4:B
FE2O3
FE2O3*H2O
FE2O3:A
FE2O3:B
FE2SIO4
FE2TA
FE2TIO4
FE2U
FE2ZNO4
FE3(ASO4)2
FE3C
FE3C:A
FE3C:B
FE3MO2
FE3O4
FE3O4:A
FE3O4:B
FE4N
FE4N:A
FE4N:B
FE:A
FE:B
FE:C
FE:D
FEAL2O4
FEASO4
FEASO4:A
FEASO4:B
FEASO4:C
FEB
FEBR2
FEBR2:1
FEBR2:2
FEBR3
FECL
FECL2
DIIRON-TETRABROMIDE-GAS
DIIRON-TETRACHLORIDE-GAS
DIIRON-HEXACHLORIDE-GAS
DIIRON-TETRAIODIDE-GAS
DIIRON-MAGNESIUM-TETRAOXIDE
DIIRON-MANGANESE-TETRAOXIDE
DIIRON-MANGANESE-TETRAOXIDE:S-1
DIIRON-MANGANESE-TETRAOXIDE:S-2
DIIRON-NICKEL-TETRAOXIDE
DIIRON-NICKEL-TETRAOXIDE:SOL-A
DIIRON-NICKEL-TETRAOXIDE:SOL-B
HEMATITE
IRON-TRIOXIDE-HYDRATE-GOETHITE
HEMATITE:SOL-A
HEMATITE:SOL-B
IRON-ORTHOSILICATE-FAYALITE
2-IRON-TANTALUM
DIIRON-TITANIUM-TETROXIDE
2-IRON-URANIUM
DIIRON-ZINC-TETRAOXIDE
TRIIRON-DIARSENATE
TRIIRON-CARBIDE
TRIIRON-CARBIDE:SOL-A
TRIIRON-CARBIDE:SOL-B
3-IRON-2-MOLYBDENUM
MAGNETITE
MAGNETITE:SOL-A
MAGNETITE:SOL-B
TETRAIRON-NITRIDE
TETRAIRON-NITRIDE:SOL-A
TETRAIRON-NITRIDE:SOL-B
IRON:SOL-A
IRON:SOL-B
IRON:SOL-C
IRON:SOL-D
IRON-DIALUMINIUM-TETRAOXIDE
IRON-ARSENATE
IRON-ARSENATE:SOL-A
IRON-ARSENATE:SOL-B
IRON-ARSENATE:SOL-C
IRON-MONOBORIDE
IRON-DIBROMIDE
IRON-DIBROMIDE:SOL-1
IRON-DIBROMIDE:SOL-2
IRON-TRIBROMIDE
IRON-MONOCHLORIDE-GAS
FERROUS-CHLORIDE
Databanks 1-135
INORGANIC Component
Databank: Ga
1-136 Databanks
Alias
Name
FECL3
FECO3
FEF2
FEF3
FEI2
FEI2:1
FEI2:2
FEMOO4
FENAO2
FEO
FEOCL
FES
FES2
FES:A
FES:B
FES:C
FESE0.96
FESE0.96:A
FESE0.96:B
FESI
FESI2
FESI2.33
FESIO3
FESO4
FETE0.9
FETE2
FETI
FETIO3
FEV2O4
FEWO4
FERRIC-CHLORIDE
IRON-CARBONATE
IRON-DIFLUORIDE
IRON-TRIFLUORIDE
IRON-DIIODIDE
IRON-DIIODIDE:SOL-1
IRON-DIIODIDE:SOL-2
IRON-MOLYBDATE
IRON-SODIUM-DIOXIDE
FERROUS-OXIDE
IRON-CHLORIDE-OXIDE
IRON-MONOSULFIDE
IRON-DISULFIDE-PYRITE
IRON-MONOSULFIDE:SOL-A
IRON-MONOSULFIDE:SOL-B
IRON-MONOSULFIDE:SOL-C
IRON-0.96-SELENIDE
IRON-0.96-SELENIDE:SOL-A
IRON-0.96-SELENIDE:SOL-B
IRON-SILICON
LEBOITE-BETA
LEBOITE-ALPHA
IRON-METASILICATE
FERROUS-SULFATE
IRON-0.9-TELLURIDE
IRON-DITELLURIDE
IRON-TITANIUM
IRON-TITANIUM-TRIOXIDE-ILMENITE
IRON-DIVANADIUM-TETRAOXIDE
IRON-TUNGSTATE
Alias
Name
GA
GA2(SEO4)3
GA2CL6
GA2O
GA2O3
GA2S
GA2S3
GA2SE3
GA2TE3
GAAS
GAASO4
GABR3
GACL
GACL2
GACL3
GALLIUM
GALLIUM-SELENATE
DIGALLIUM-HEXACHLORIDE-GAS
DIGALLIUM-OXIDE-GAS
GALLIUM-OXIDE
DIGALLIUM-SULFIDE-GAS
DIGALLIUM-TRISULFIDE
DIGALLIUM-TRISELENIDE
DIGALLIUM-TRITELLURIDE
GALLIUM-ARSENIDE
GALLIUM-ARSENATE
GALLIUM-BROMIDE
GALLIUM-MONOCHLORIDE-GAS
GALLIUM-DICHLORIDE-GAS
GALLIUM-TRICHLORIDE
Alias
Name
GAF
GAF2
GAF3
GAI3
GAN
GAO
GAP
GAS
GASB
GASE
GATE
GALLIUM-MONOFLUORIDE-GAS
GALLIUM-DIFLUORIDE-GAS
GALLIUM-FLUORIDE
GALLIUM-IODIDE
GALLIUM-NITRIDE
GALLIUM-MONOXIDE-GAS
GALLIUM-PHOSPHIDE
GALLIUM-MONOSULFIDE
GALLIUM-ANTIMONY
GALLIUM-MONOSELENIDE
GALLIUM-MONOTELLURIDE
INORGANIC Component
Databank: Gd
Alias
Name
GD
GD2O3
GD2O3-M
GD:A
GD:B
GDBR3
GDCL3
GDF3
GDF3:A
GDF3:B
GDI3
GDI3:A
GDI3:B
GDOCL
GADOLINIUM
GADOLINIUM-OXIDE-CUBIC
GADOLINIUM-OXIDE-MONOCLINIC
GADOLINIUM:SOL-A
GADOLINIUM:SOL-B
GADOLINIUM-BROMIDE
GADOLINIUM-CHLORIDE
GADOLINIUM-FLUORIDE
GADOLINIUM-FLUORIDE:SOL-A
GADOLINIUM-FLUORIDE:SOL-B
GADOLINIUM-IODIDE
GADOLINIUM-IODIDE:SOL-A
GADOLINIUM-IODIDE:SOL-B
GADOLINIUM-CHLORIDE-OXIDE
INORGANIC Component
Databank: Ge
Alias
Name
GE
GE2U
GE3U
GE3U5
GE5U3
GEBR4
GECL
GECL2
GECL3
GECL4
GEF
GEF2
GEF3
GEF4
GEH4
GEI4
GEMG2
GENI2
GERMANIUM
2-GERMANIUM-URANIUM
3-GERMANIUM-URANIUM
3-GERMANIUM-5-URANIUM
5-GERMANIUM-3-URANIUM
GERMANIUM-TETRABROMIDE-GAS
GERMANIUM-MONOCHLORIDE-GAS
GERMANIUM-DICHLORIDE-GAS
GERMANIUM-TRICHLORIDE-GAS
GERMANIUM-TETRACHLORIDE-GAS
GERMANIUM-MONOFLUORIDE-GAS
GERMANIUM-DIFLUORIDE-GAS
GERMANIUM-TRIFLUORIDE-GAS
GERMANIUM-TETRAFLUORIDE-GAS
GERMANIUM-TETRAHYDRIDE
GERMANIUM-TETRAIODIDE-GAS
GERMANIUM-2-MAGNESIUM
GERMANIUM-2-NICKEL
Databanks 1-137
INORGANIC Component
Databank: H
1-138 Databanks
Alias
Name
GEO
GEO2
GEO2:A
GEO2:B
GEP
GES
GES2
GESE
GESE2
GETE
GEU
GERMANIUM-MONOXIDE-GAS
GERMANIUM-DIOXIDE
GERMANIUM-DIOXIDE:SOL-A
GERMANIUM-DIOXIDE:SOL-B
GERMANIUM-PHOSPHIDE
GERMANIUM-MONOSULFIDE
GERMANIUM-DISULFIDE
GERMANIUM-MONOSELENIDE
GERMANIUM-DISELENIDE
GERMANIUM-MONOTELLURIDE
GERMANIUM-URANIUM
Alias
Name
D
D2
D2O
D2S
DCL
DF
DH
DS
H
1/2-H2
H2
H2O
H2O2
H2S
H2S2
H2SE-G
H2SO4
H2TE
H2WO4
H3BO3
H3N
H3PO4
H4N2
HBO2
HBR
HCL
HDO
HF
HI
HNCO
HNO3
HS
DEUTERIUM-MONATOMIC-GAS
DEUTERIUM
DEUTERIUM-OXIDE
HYDROGEN-SULFIDE-D2-GAS
HYDROGEN-CHLORIDE-D1-GAS
HYDROGEN-FLUORIDE-D1-GAS
HYDROGEN-D1-GAS
HYDROGEN-MONOSULFIDE-D1-GAS
HYDROGEN-MONATOMIC-GAS
1/2-HYDROGEN
HYDROGEN
WATER
HYDROGEN-PEROXIDE
HYDROGEN-SULFIDE
DIHYDROGEN-DISULFIDE-GAS
HYDROGEN-SELENIDE-GAS
SULFURIC-ACID
HYDROGEN-TELLURIDE-GAS
TUNGSTIC-ACID
AMMONIA
HYDRAZINE
METABORIC-ACID
HYDROGEN-BROMIDE
HYDROGEN-CHLORIDE
WATER-D1-GAS
HYDROGEN-FLUORIDE
HYDROGEN-IODIDE
ISOCYANIC-ACID-GAS
NITRIC-ACID
HYDROGEN-MONOSULFIDE-GAS
INORGANIC Component
Databank: Hf
Alias
Name
HAFNIUM
HF:A
HF:B
HFB2
HFBR4
HFC
HFCL2
HFCL3
HFCL4
HFF4
HFI4
HFN
HFO2
HFO2:A
HFO2:B
HFSRO3
HAFNIUM
HAFNIUM:SOL-A
HAFNIUM:SOL-B
HAFNIUM-DIBORIDE
HAFNIUM-TETRABROMIDE
HAFNIUM-CARBIDE
HAFNIUM-DICHLORIDE-GAS
HAFNIUM-TRICHLORIDE-GAS
HAFNIUM-TETRACHLORIDE
HAFNIUM-TETRAFLUORIDE
HAFNIUM-TETRAIODIDE
HAFNIUM-NITRIDE
HAFNIUM-DIOXIDE
HAFNIUM-DIOXIDE:SOL-A
HAFNIUM-DIOXIDE:SOL-B
HAFNIUM-STRONTIUM-TRIOXIDE
INORGANIC Component
Databank: Hg
Alias
Name
HG
HG2BR2
HG2CL2
HG2F2
HG2I2
HG2SO4
HG3(ASO4)2
HGBR
HGBR2
HGCL
HGCL2
HGF
HGF2
HGH
HGI
HGI2
HGI2:A
HGI2:B
HGO
HGS
HGS:B
HGS:R
HGSE
HGSEO3
HGSO4
HGTE
MERCURY
DIMERCURY-DIBROMIDE
DIMERCURY-DICHLORIDE
DIMERCURY-DIFLUORIDE
DIMERCURY-DIIODIDE
DIMERCURY-SULFATE
TRIMERCURY-DIARSENATE
MERCURY-MONOBROMIDE-GAS
MERCURY-DIBROMIDE
MERCURY-MONOCHLORIDE-GAS
MERCURY-DICHLORIDE
MERCURY-MONOFLUORIDE-GAS
MERCURY-DIFLUORIDE
MERCURY-MONOHYDRIDE-GAS
MERCURY-MONOIODIDE-GAS
MERCURY-DIIODIDE
MERCURY-DIIODIDE:SOL-A
MERCURY-DIIODIDE:SOL-B
MERCURY-OXIDE-RED
MERCURY-SULFIDE-RED
MERCURY-SULFIDE-RED:SOL-B
MERCURY-SULFIDE-RED:SOL-R
MERCURY-SELENIDE
MERCURY-SELENITE
MERCURY-SULFATE
MERCURY-TELLURIDE
Databanks 1-139
INORGANIC Component
Databank: Ho
Alias
Name
HO-1
HO2O3
HO:A
HO:B
HOBR3
HOCL3
HOCL3*6H2O
HOF3
HOF3:A
HOF3:B
HOLMIUM
HOLMIUM-OXIDE
HOLMIUM:SOL-A
HOLMIUM:SOL-B
HOLMIUM-BROMIDE
HOLMIUM-CHLORIDE
HOLMIUM-CHLORIDE-HEXAHYDRATE
HOLMIUM-FLUORIDE
HOLMIUM-FLUORIDE:SOL-A
HOLMIUM-FLUORIDE:SOL-B
INORGANIC Component
Databank: In
Alias
Name
IN
IN2(SO4)3
IN2CL6
IN2O
IN2O3
IN2S3
IN2S3:A
IN2S3:B
IN2S3:C
IN2SE3
IN2SE3:A
IN2SE3:B
IN2TE
IN2TE3
IN2TE3:A
IN2TE3:B
IN5S6
INAS
INASO4
INBR
INBR3
INCL
INCL2
INCL2:1
INCL2:2
INCL3
INCL:A
INCL:B
INF
INF2
INF3
INI
INI2
INI3
INN
INDIUM
DIINDIUM-TRISULFATE
DIINDIUM-HEXACHLORIDE-GAS
DIINDIUM-OXIDE-GAS
DIINDIUM-TRIOXIDE
DIINDIUM-TRISULFIDE
DIINDIUM-TRISULFIDE:SOL-A
DIINDIUM-TRISULFIDE:SOL-B
DIINDIUM-TRISULFIDE:SOL-C
DIINDIUM-TRISELENIDE
DIINDIUM-TRISELENIDE:SOL-A
DIINDIUM-TRISELENIDE:SOL-B
DIINDIUM-TELLURIDE
DIINDIUM-TRITELLURIDE
DIINDIUM-TRITELLURIDE:SOL-A
DIINDIUM-TRITELLURIDE:SOL-B
PENTAINDIUM-HEXASULFIDE
INDIUM-ARSENIDE
INDIUM-ARSENATE
INDIUM-MONOBROMIDE
INDIUM-TRIBROMIDE
INDIUM-MONOCHLORIDE
INDIUM-DICHLORIDE
INDIUM-DICHLORIDE:SOL-1
INDIUM-DICHLORIDE:SOL-2
INDIUM-TRICHLORIDE
INDIUM-MONOCHLORIDE:SOL-A
INDIUM-MONOCHLORIDE:SOL-B
INDIUM-MONOFLUORIDE-GAS
INDIUM-DIFLUORIDE-GAS
INDIUM-TRIFLUORIDE
INDIUM-MONOIODIDE
INDIUM-DIIODIDE-GAS
INDIUM-TRIIODIDE
INDIUM-NITRIDE
1-140 Databanks
Alias
Name
INP
INP:A
INP:B
INS
INSB
INSE
INTE
INDIUM-PHOSPHIDE
INDIUM-PHOSPHIDE:SOL-A
INDIUM-PHOSPHIDE:SOL-B
INDIUM-MONOSULFIDE
INDIUM-ANTIMONY
INDIUM-MONOSELENIDE
INDIUM-MONOTELLURIDE
INORGANIC Component
Databank: Ir
Alias
Name
IR
IR2S3
IRBR3
IRCL3
IRF6
IRI
IRI2
IRO2
IRO3
IRS2
IRIDIUM
DIIRIDIUM-TRISULFIDE
IRIDIUM-TRIBROMIDE
IRIDIUM-TRICHLORIDE
IRIDIUM-HEXAFLUORIDE-GAS
IRIDIUM-MONOIODIDE
IRIDIUM-DIIODIDE
IRIDIUM-DIOXIDE
IRIDIUM-TRIOXIDE-GAS
IRIDIUM-DISULFIDE
INORGANIC Component
Databank: K
Alias
Name
K
K2
K2(CN)2
K2(OH)2
K2B407
K2B6O10
K2B8O13
K2BR2
K2CL2
K2CO3
K2CRO4
K2CRO4:A
K2CRO4:B
K2F2
K2HPO4
K2I2
K2O
K2O2
K2S
K2S:1
K2S:2
K2SI2O5
K2SI2O5:B
K2SI2O5:C
K2SI4O9
K2SI4O9:A
POTASSIUM
POTASSIUM-DIATOMIC-GAS
DIPOTASSIUM-DICYANIDE-GAS
DIPOTASSIUM-DIHYDROXIDE-GAS
DIPOTASSIUM-TETRABORATE
DIPOTASSIUM-HEXABORATE
DIPOTASSIUM-OCTABORATE
DIPOTASSIUM-DIBROMIDE-GAS
DIPOTASSIUM-DICHLORIDE-GAS
POTASSIUM-CARBONATE
POTASSIUM-CHROMATE
POTASSIUM-CHROMATE:SOL-A
POTASSIUM-CHROMATE:SOL-B
DIPOTASSIUM-DIFLUORIDE-GAS
DIPOTASSIUM-PHOSPHATE
DIPOTASSIUM-DIIODIDE-GAS
POTASSIUM-OXIDE
DIPOTASSIUM-PEROXIDE
POTASSIUM-SULFIDE
POTASSIUM-SULFIDE:SOL-1
POTASSIUM-SULFIDE:SOL-2
POTASSIUM-DISILICATE
POTASSIUM-DISILICATE:SOL-B
POTASSIUM-DISILICATE:SOL-C
POTASSIUM-TETRASILICATE
POTASSIUM-TETRASILICATE:SOL-A
Databanks 1-141
Alias
Name
K2SI4O9:B
K2SIO3
K2SO3
K2SO4
K2SO4:A
K2SO4:B
K3ALCL6
POTASSIUM-TETRASILICATE:SOL-B
POTASSIUM-METASILICATE
POTASSIUM-SULFITE
POTASSIUM-SULFATE
POTASSIUM-SULFATE:SOL-A
POTASSIUM-SULFATE:SOL-B
TRIPOTASSIUMHEXACHLOROALUMINATE
K3ALF6
TRIPOTASSIUMHEXAFLUOROALUMINATE
K3ASO4
POTASSIUM-ARSENATE
K3PO4
POTASSIUM-PHOSPHATE
KAL(SO4)2
POTASSIUM-ALUMINIUM-SULFATE
KALCL4
POTASSIUM-TETRACHLOROALUMINATE
KALSI2O6
LEUCITE
KALSI3O8
SANIDINE
KALSI3O8-A
ADULARIA
KALSI3O8-M
MICROCLINE
KALSIO4
KALIOPHILITE
KALSO4*2*12W POTASSIUM-ALUMINIUM-SULFATE-12-H
KALSO4*2*3W POTASSIUM-ALUMINIUM-SULFATE-3-HY
KBO2
POTASSIUM-METABORATE
KBR
POTASSIUM-BROMIDE
KCL
POTASSIUM-CHLORIDE
KCLO4
POTASSIUM-PERCHLORATE
KCLO4:1
POTASSIUM-PERCHLORATE:SOL-1
KCLO4:2
POTASSIUM-PERCHLORATE:SOL-2
KCN
POTASSIUM-CYANIDE
KF
POTASSIUM-FLUORIDE
KH
POTASSIUM-HYDRIDE
KH2PO4
POTASSIUM-DIHYDROGEN-PHOSPHATE
KH2PO4:1
POTASSIUM-DIHYDROGEN-PHOS:SOL-1
KH2PO4:2
POTASSIUM-DIHYDROGEN-PHOS:SOL-2
KI
POTASSIUM-IODIDE
KNO3
POTASSIUM-NITRATE
KNO3:A
POTASSIUM-NITRATE:SOL-A
KNO3:B
POTASSIUM-NITRATE:SOL-B
KO
POTASSIUM-MONOXIDE-GAS
KO2
POTASSIUM-DIOXIDE
KOH
POTASSIUM-HYDROXIDE
KOH:A
POTASSIUM-HYDROXIDE:SOL-A
KOH:B
POTASSIUM-HYDROXIDE:SOL-B
INORGANIC Component
Databank: La
1-142 Databanks
Alias
Name
LA
LA2O3
LA2S3
LANTHANUM
LANTHANUM-OXIDE
LANTHANUM-SULFIDE
INORGANIC Component
Databank: Li
Alias
Name
LA2SE3
LA2TE3
LA:A
LA:B
LA:C
LAASO4
LABR3
LACL3
LAF3
LAH2
LAI3
LAMG
LAN
LAO
LAOCL
LAS
LASE
LANTHANUM-SELENIDE
LANTHANUM-TELLURIDE
LANTHANUM:SOL-A
LANTHANUM:SOL-B
LANTHANUM:SOL-C
LANTHANUM-ARSENATE
LANTHANUM-BROMIDE
LANTHANUM-CHLORIDE
LANTHANUM-FLUORIDE
LANTHANUM-DIHYDRIDE
LANTHANUM-IODIDE
LANTHANUM-MAGNESIUM
LANTHANUM-NITRIDE
LANTHANUM-MONOXIDE-GAS
LANTHANUM-CHLORIDE-OXIDE
LANTHANUM-MONOSULFIDE
LANTHANUM-MONOSELENIDE
Alias
Name
LI
LI2
LI2(OH)2
LI2B4O7
LI2B6O10
LI2BEF4
LI2BR2
LI2CL2
LI2CO3
LI2CO3:A
LI2CO3:B
LI2CO3:C
LI2F2
LI2I2
LI2O
LI2O2
LI2S
LI2SE
LI2SI2O5
LI2SI2O5:A
LI2SI2O5:B
LI2SIO3
LI2SO4
LI2SO4:A
LI2SO4:B
LI2TE
LI2TIO3
LI2TIO3:A
LITHIUM
LITHIUM-DIATOMIC-GAS
DILITHIUM-DIHYDROXIDE-GAS
DILITHIUM-TETRABORATE
DILITHIUM-HEXABORATE
DILITHIUM-TETRAFLUOROBERYLLATE
DILITHIUM-DIBROMIDE-GAS
DILITHIUM-DICHLORIDE-GAS
LITHIUM-CARBONATE
LITHIUM-CARBONATE:SOL-A
LITHIUM-CARBONATE:SOL-B
LITHIUM-CARBONATE:SOL-C
DILITHIUM-DIFLUORIDE-GAS
DILITHIUM-DIIODIDE-GAS
LITHIUM-OXIDE
DILITHIUM-PEROXIDE
LITHIUM-SULFIDE
LITHIUM-SELENIDE
LITHIUM-DISILICATE
LITHIUM-DISILICATE:SOL-A
LITHIUM-DISILICATE:SOL-B
LITHIUM-METASILICATE
LITHIUM-SULFATE
LITHIUM-SULFATE:SOL-A
LITHIUM-SULFATE:SOL-B
LITHIUM-TELLURIDE
DILITHIUM-TITANIUM-TRIOXIDE
DILITHIUM-TITANIUM-TRIOXIDE:S-A
Databanks 1-143
INORGANIC Component
Databank: Mg
1-144 Databanks
Alias
Name
LI2TIO3:B
LI2ZRO3
LI3ALF6
LI3ALF6:B
LI3ALF6:C
LI3ALF6:D
LI3ALF6:E
LI3ASO4
LI3F3
LI3N
LI4SIO4
LIALF4
LIALO2
LIALSI2O6
LIALSI2O6-B
LIALSIO4
LIALSIO4:B
LIALSIO4:C
LIBEF3
LIBO2
LIBR
LICL
LICLO
LICLO4
LIF
LIFEO2
LIFO
LIH
LII
LIO
LIOH
DILITHIUM-TITANIUM-TRIOXIDE:S-B
DILITHIUM-ZIRCONIUM-TRIOXIDE
TRILITHIUM-HEXAFLUOROALUMINATE
TRILITHIUM-6-FLUOROALUMINATE:S-B
TRILITHIUM-6-FLUOROALUMINATE:S-C
TRILITHIUM-6-FLUOROALUMINATE:S-D
TRILITHIUM-6-FLUOROALUMINATE:S-E
LITHIUM-ARSENATE
TRILITHIUM-TRIFLUORIDE-GAS
TRILITHIUM-NITRIDE
LITHIUM-ORTHOSILICATE
LITHIUM-TETRAFLUOROALUMINATEGAS
LITHIUM-ALUMINATE
ALPHA-SPODUMENE
BETA-SPODUMENE
EUCRYPTITE
EUCRYPTITE:SOL-B
EUCRYPTITE:SOL-C
LITHIUM-TRIFLUOROBERYLLATE
LITHIUM-METABORATE
LITHIUM-BROMIDE
LITHIUM-CHLORIDE
LITHIUM-HYPOCHLORITE-GAS
LITHIUM-PERCHLORATE
LITHIUM-FLUORIDE
LITHIUM-IRON-DIOXIDE
LITHIUM-HYPOFLUORITE-GAS
LITHIUM-HYDRIDE
LITHIUM-IODIDE
LITHIUM-MONOXIDE-GAS
LITHIUM-HYDROXIDE
Alias
Name
MG
MG(NO3)2
MG(OH)2
MG(OH)CL
MG(VO3)2
MG2BR4
MG2C3
MG2F4
MG2PB
MG2SI
MG2SIO4
MG2TH
MG2TIO4
MAGNESIUM
MAGNESIUM-NITRATE
MAGNESIUM-HYDROXIDE
MAGNESIUM-CHLORIDE-HYDROXIDE
MAGNESIUM-METAVANADATE
DIMAGNESIUM-TETRABROMIDE-GAS
DIMAGNESIUM-TRICARBIDE
DIMAGNESIUM-TETRAFLUORIDE-GAS
2-MAGNESIUM-LEAD
2-MAGNESIUM-SILICON
MAGNESIUM-ORTHOSILICATE
2-MAGNESIUM-THORIUM
DIMAGNESIUM-TITANIUM-TETRAOXIDE
INORGANIC Component
Databank: Mn
Alias
Name
MG2V2O7
MG3(ASO4)2
MG3(PO4)2
MG3N2
MG3N2:A
MG3N2:B
MG3N2:C
MGAL2O4
MGB2
MGB4
MGBR
MGBR2
MGC2
MGCL
MGCL2
MGCO3
MGF
MGF2
MGH2
MGI
MGI2
MGMOO4
MGNI2
MGO
MGOH
MGS
MGSE
MGSEO3
MGSIO3
MGSIO3:1
MGSIO3:2
MGSIO3:3
MGSO4
MGTE
MGTI2O5
MGTIO3
MGWO4
MAGNESIUM-PYROVANADATE
MAGNESIUM-ARSENATE
MAGNESIUM-ORTHOPHOSPHATE
TRIMAGNESIUM-DINITRIDE
TRIMAGNESIUM-DINITRIDE:SOL-A
TRIMAGNESIUM-DINITRIDE:SOL-B
TRIMAGNESIUM-DINITRIDE:SOL-C
MAGNESIUM-DIALUMINIUMTETRAOXIDE
MAGNESIUM-DIBORIDE
MAGNESIUM-TETRABORIDE
MAGNESIUM-MONOBROMIDE-GAS
MAGNESIUM-BROMIDE
MAGNESIUM-DICARBIDE
MAGNESIUM-MONOCHLORIDE-GAS
MAGNESIUM-CHLORIDE
MAGNESIUM-CARBONATE
MAGNESIUM-MONOFLUORIDE-GAS
MAGNESIUM-FLUORIDE
MAGNESIUM-HYDRIDE
MAGNESIUM-MONOIODIDE-GAS
MAGNESIUM-IODIDE
MAGNESIUM-MOLYBDATE
MAGNESIUM-2-NICKEL
MAGNESIUM-OXIDE
MAGNESIUM-MONOHYDROXIDE-GAS
MAGNESIUM-SULFIDE
MAGNESIUM-SELENIDE
MAGNESIUM-SELENITE
MAGNESIUM-METASILICATE
MAGNESIUM-METASILICATE:SOL-1
MAGNESIUM-SULFATE
MAGNESIUM-TELLURIDE
MAGNESIUM-DITITANIUM-PENTOXIDE
MAGNESIUM-TITANIUM-TRIOXIDE
MAGNESIUM-TUNGSTATE
Alias
Name
MN
MN15C4
MN2O3
MN2P
MN2SB
MN2SB:1
MN2SB:2
MANGANESE
15-MANGANESE-4-CARBID
DIMANGANESE-TRIOXIDE
DIMANGANESE-PHOSPHIDE
2-MANGANESE-ANTIMONY
2-MANGANESE-ANTIMONY:SOL-1
2-MANGANESE-ANTIMONY:SOL-2
Databanks 1-145
Alias
Name
MN2SIO4
MN2TIO4
MN3(ASO4)2
MN3C
MN3O4
MN3O4:A
MN3O4:B
MN3SI
MN3SI:1
MN3SI:2
MN4N
MN5N2
MN5SI3
MN7C3
MN:A
MN:B
MN:C
MN:D
MNAL2O4
TEPHROITE
DIMANGANESE-TITANIUM-TETRAOXIDE
MANGANESE-ARSENATE
TRIMANGANESE-CARBIDE
TRIMANGANESE-TETRAOXIDE
TRIMANGANESE-TETRAOXIDE:SOL-A
TRIMANGANESE-TETRAOXIDE:SOL-B
3-MANGANESE-SILICON
3-MANGANESE-SILICON:SOL-1
3-MANGANESE-SILICON:SOL-2
TETRAMANGANESE-MONONITRIDE
PENTAMANGANESE-DINITRIDE
5-MANGANESE-3-SILICON
HEPTAMANGANESE-TRICARBIDE
MANGANESE:SOL-A
MANGANESE:SOL-B
MANGANESE:SOL-C
MANGANESE:SOL-D
MANGANESE-DIALUMINIUMTETRAOXIDE
MANGANESE-ARSENIDE
MANGANESE-ARSENIDE:SOL-1
MANGANESE-MONOBORIDE
MANGANESE-DIBORIDE
MANGANESE-DIBROMIDE
MANGANESE-CARBONATE
MANGANESE-DIFLUORIDE
MANGANESE-DIFLUORIDE:SOL-A
MANGANESE-DIFLUORIDE:SOL-B
MANGANESE-TRIFLUORIDE
MANGANESE-DIIODIDE
MANGANESE-MOLYBDATE
MANGANESE-OXIDE
MANGANESE-DIOXIDE
MANGANESE-MONOPHOSPHIDE
MANGANESE-TRIPHOSPHIDE
MANGANESE-MONOSULFIDE-GREEN
MANGANESE-DISULFIDE
MANGANESE-ANTIMONY
MANGANESE-SELENIDE
MANGANESE-SILICON
MANGANESE-1.7-SILICON
RHODONITE
MANGANESE-2-TIN
MNAS
MNAS:1
MNAS:2
MNAS:3
MNB
MNB2
MNBR2
MNCL2
MNCO3
MNF2
MNF2:A
MNF2:B
MNF3
MNI2
MNMOO4
MNO
MNO2
MNP
MNP3
MNS
MNS2
MNSB
MNSE
MNSI
MNSI1.7
MNSIO3
MNSN2
1-146 Databanks
Alias
Name
MNSO4
MNTE
MNTE2
MNTE:A
MNTE:B
MNTIO3
MNWO4
MANGANESE-SULFATE
MANGANESE-TELLURIDE
MANGANESE-DITELLURIDE
MANGANESE-TELLURIDE:SOL-A
MANGANESE-TELLURIDE:SOL-B
MANGANESE-TITANIUM-TRIOXIDE
MANGANESE-TUNGSTATE
INORGANIC Component
Databank: Mo
Alias
Name
MO
MO(CO)6
MO2C
MO2N
MO2S3
MO3SI
MO5SI3
MOASO4
MOC
MOO
MOO2
MOO2CL2
MOO3
MOS2
MOS3
MOSI2
MOLYBDENUM
MOLYBDENUM-HEXACARBONYL
DIMOLYBDENUM-CARBIDE
DIMOLYBDENUM-NITRIDE
MOLYBDENUM-SESQUISULFIDE
3-MOLYBDENUM-SILICON
5-MOLYBDENUM-3-SILICON
MOLYBDENUM-ARSENATE
MOLYBDENUM-MONOCARBIDE-GAMMA
MOLYBDENUM-MONOXIDE-GAS
MOLYBDENUM-DIOXIDE
MOLYBDENUM-DICHLORIDE-DIOXIDE
MOLYBDENUM-TRIOXIDE
MOLYBDENUM-DISULFIDE
MOLYBDENUM-TRISULFIDE
MOLYBDENUM-2-SILICON
INORGANIC Component
Databank: N
Alias
Name
N
N-D
1/2-N2
N2
N2O
N2O3
N2O5
NCO
ND3
ND2
NH
NH2
NH4CL
NH4CL:1
NH4CL:2
NH4CLO4
NH4I
(NH4)2SO4
NO
NO2
NITROGEN-MONATOMIC-GAS
IMIDOGEN-D1-GAS
1/2-NITROGEN
NITROGEN
NITROUS-OXIDE
NITROGEN-TRIOXIDE
NITROGEN-PENTOXIDE
NCO-RADICAL-GAS
AMMONIA-D3-GAS
AMIDOGEN-D2-GAS
IMIDOGEN-GAS
AMIDOGEN-GAS
AMMONIUM-CHLORIDE
AMMONIUM-CHLORIDE:SOL-1
AMMONIUM-CHLORIDE:SOL-2
AMMONIUM-PERCHLORATE
AMMONIUM-IODIDE
AMMONIUM-SULFATE
NITRIC-OXIDE
NITROGEN-DIOXIDE
Databanks 1-147
INORGANIC Component
Databank: Na
1-148 Databanks
Alias
Name
NO2CL
NO3
NOBR
NOCL-G
NOF
NITRYL-CHLORIDE-GAS
NITROGEN-TRIOXIDE-GAS
NITROSYL-BROMIDE-GAS
NITROSYL-CHLORIDE-GAS
NITROSYL-FLUORIDE-GAS
Alias
Name
NA
NA2
NA2(CN)2
NA2(OH)2
NA2B4O7
NA2BR2
NA2CL2
NA2CO3
NA2CO3:1
NA2CO3:2
NA2CRO4
NA2CRO4:A
NA2CRO4:B
NA2F2
NA2MOO4
NA2MOO4:A
NA2MOO4:B
NA2MOO4:C
NA2MOO4:D
NA2O
NA2O2
NA2O2:A
NA2O2:B
NA2O:A
NA2O:B
NA2O:C
NA2S
NA2S2
NA2S3
NA2S4
NA2S:1
NA2S:2
NA2SI2O5
NA2SI2O5:A
NA2SI2O5:B
NA2SI2O5:C
NA2SIO3
NA2SO3
NA2SO4
NA2SO4-III
SODIUM
SODIUM-DIATOMIC-GAS
DISODIUM-DICYANIDE-GAS
DISODIUM-DIHYDROXIDE-GAS
DISODIUM-TETRABORATE
DISODIUM-DIBROMIDE-GAS
DISODIUM-DICHLORIDE-GAS
SODIUM-CARBONATE
SODIUM-CARBONATE:SOL-1
SODIUM-CARBONATE:SOL-2
SODIUM-CHROMATE
SODIUM-CHROMATE:SOL-A
SODIUM-CHROMATE:SOL-B
DISODIUM-DIFLUORIDE-GAS
SODIUM-MOLYBDATE
SODIUM-MOLYBDATE:SOL-A
SODIUM-MOLYBDATE:SOL-B
SODIUM-MOLYBDATE:SOL-C
SODIUM-MOLYBDATE:SOL-D
SODIUM-OXIDE
SODIUM-PEROXIDE
DISODIUM-PEROXIDE:SOL-A
DISODIUM-PEROXIDE:SOL-B
SODIUM-OXIDE:SOL-A
SODIUM-OXIDE:SOL-B
SODIUM-OXIDE:SOL-C
SODIUM-SULFIDE
DISODIUM-DISULFIDE
DISODIUM-TRISULFIDE
DISODIUM-TETRASULFIDE
SODIUM-SULFIDE:SOL-1
SODIUM-SULFIDE:SOL-2
SODIUM-DISILICATE
SODIUM-DISILICATE:SOL-A
SODIUM-DISILICATE:SOL-B
SODIUM-DISILICATE:SOL-C
SODIUM-SILICATE
SODIUM-SULFITE
SODIUM-SULFATE
SODIUM-SULFATE-III
Alias
Name
NA2SO4:1
NA2SO4:4
NA2SO4:5
NA2TE
NA2TI2O5
NA2TI3O7
NA2TIO3
NA2TIO3:A
NA2TIO3:B
NA2WO4
NA2WO4:1
NA2WO4:2
NA3ALCL6
NA3ALF6
NA3ALF6:A
NA3ALF6:B
NA3ALF6:C
NA3AS
NA3ASO4
NA3PO4
NA3VO4
NA4SIO4
NA4V2O7
NA6SI2O7
NAALCL4
NAALO2
NAALO2:A
NAALO2:B
NAALSI2O6
NAALSI2O6-D
NAALSI3O8
NAALSI3O8-A
NAALSIO4
NAALSIO4:A
NAALSIO4:B
NAALSIO4:C
NAB3O5
NABO2
NABR
NACL
NACLO4
NACLO4:A
NACLO4:B
NACN
NAF
NAH
NAHCO3
SODIUM-SULFATE:SOL-1
DISODIUM-TELLURIDE
DISODIUM-DITITANIUM-PENTAOXIDE
DISODIUM-TRITITANIUM-HEPTAOXIDE
DISODIUM-TITANIUM-TRIOXIDE
DISODIUM-TITANIUM-TRIOXIDE:SOL-A
DISODIUM-TITANIUM-TRIOXIDE:SOL-B
SODIUM-TUNGSTATE
SODIUM-TUNGSTATE:SOL-1
SODIUM-TUNGSTATE:SOL-2
TRISODIUM-HEXACHLOROALUMINATE
CRYOLITE
CRYOLITE:SOL-A
CRYOLITE:SOL-B
CRYOLITE:SOL-C
TRISODIUM-ARSENIDE
SODIUM-ARSENATE
TRISODIUM-PHOSPHATE
SODIUM-ORTHOVANADATE
SODIUM-ORTHOSILICATE
SODIUM-PYROVANADATE
HEXASODIUM-DISILICON-HEPTAOXIDE
SODIUM-TETRACHLOROALUMINATE
SODIUM-ALUMINATE
SODIUM-ALUMINATE:SOL-A
SODIUM-ALUMINATE:SOL-B
JADEITE
DEHYDRATED-ANALCITE
ALBITE
ANALBITE
NEPHELINE
NEPHELINE:SOL-A
NEPHELINE:SOL-B
NEPHELINE:SOL-C
SODIUM-TRIBORATE
SODIUM-METABORATE
SODIUM-BROMIDE
SODIUM-CHLORIDE
SODIUM-PERCHLORATE
SODIUM-PERCHLORATE:SOL-A
SODIUM-PERCHLORATE:SOL-B
SODIUM-CYANIDE
SODIUM-FLUORIDE
SODIUM-HYDRIDE
SODIUM-BICARBONATE
Databanks 1-149
INORGANIC Component
Databank: Nb
1-150 Databanks
Alias
Name
NAI
NANO2
NANO3
NANO3:1
NANO3:2
NAO
NAO2
NAOH
NAOH:A
NAOH:B
NATE
NATE3
NAVO3
NAVO3:1
NAVO3:2
SODIUM-IODIDE
SODIUM-NITRITE
SODIUM-NITRATE
SODIUM-NITRATE:SOL-1
SODIUM-NITRATE:SOL-2
SODIUM-MONOXIDE-GAS
SODIUM-SUPEROXIDE
SODIUM-HYDROXIDE
SODIUM-HYDROXIDE:SOL-A
SODIUM-HYDROXIDE:SOL-B
SODIUM-TELLURIDE
SODIUM-TRITELLURIDE
SODIUM-METAVANADATE
SODIUM-METAVANADATE:SOL-1
SODIUM-METAVANADATE:SOL-2
Alias
Name
NB
NB2C
NB2N
NB2O5
NB5SI3
NBB2
NBBR5
NBC
NBC0.702
NBC0.825
NBCL2
NBCL2.33
NBCL2.67
NBCL3
NBCL3.13
NBCL4
NBCL5
NBF5
NBFE2
NBI5
NBN
NBN:A
NBN:B
NBO
NBO2
NBO2:A
NBO2:B
NBO2:C
NBO2CL
NBOCL2
NIOBIUM
DINIOBIUM-CARBIDE
DINIOBIUM-NITRIDE
DINIOBIUM-PENTAOXIDE
5-NIOBIUM-3-SILICON
NIOBIUM-DIBORIDE
NIOBIUM-PENTABROMIDE
NIOBIUM-CARBIDE
NIOBIUM-0.702-CARBIDE
NIOBIUM-0.825-CARBIDE
NIOBIUM-DICHLORIDE
NIOBIUM-2.33-CHLORIDE
NIOBIUM-TRICHLORIDE
NIOBIUM-TETRACHLORIDE
NIOBIUM-PENTACHLORIDE
NIOBIUM-PENTAFLUORIDE
NIOBIUM-2-IRON
NIOBIUM-PENTAIODIDE
NIOBIUM-NITRIDE
NIOBIUM-NITRIDE:SOL-A
NIOBIUM-NITRIDE:SOL-B
NIOBIUM-MONOXIDE
NIOBIUM-DIOXIDE
NIOBIUM-DIOXIDE:SOL-A
NIOBIUM-DIOXIDE:SOL-B
NIOBIUM-DIOXIDE:SOL-C
NIOBIUM-CHLORIDE-DIOXIDE
NIOBIUM-DICHLORIDE-OXIDE
Alias
Name
NBOCL3
NBSI2
NIOBIUM-TRICHLORIDE-OXIDE
NIOBIUM-2-SILICON
INORGANIC Component
Databank: Nd
Alias
Name
ND
ND2(SO4)3
ND2O3
ND2O3:A
ND2O3:B
ND2S3
ND2SE3
ND2TE3
ND2ZR2O7
ND:A
ND:B
NDBR3
NDCL3
NDF3
NDH2
NDI3
NDI3:A
NDI3:B
NDOCL
NDS
NDSE
NDTE
NEODYMIUM
NEODYMIUM-SULFATE
NEODYMIUM-OXIDE
NEODYMIUM-OXIDE:SOL-A
NEODYMIUM-OXIDE:SOL-B
NEODYMIUM-SULFIDE
NEODYMIUM-SELENIDE
NEODYMIUM-TELLURIDE
NEODYMIUM-ZIRCONIUM-HEPTAOXIDE
NEODYMIUM:SOL-A
NEODYMIUM:SOL-B
NEODYMIUM-BROMIDE
NEODYMIUM-CHLORIDE
NEODYMIUM-FLUORIDE
NEODYMIUM-DIHYDRIDE
NEODYMIUM-IODIDE
NEODYMIUM-IODIDE:SOL-A
NEODYMIUM-IODIDE:SOL-B
NEODYMIUM-CHLORIDE-OXIDE
NEODYMIUM-MONOSULFIDE
NEODYMIUM-MONOSELENIDE
NEODYMIUM-MONOTELLURIDE
INORGANIC Component
Databank: Ni
Alias
Name
NI
NI(CO)4
NI11AS8
NI2P
NI2SIO4
NI3(ASO4)2
NI3C
NI3P
NI3S2
NI3S2:1
NI3S2:2
NI3S4
NI3SN
NI3SN2
NI3TI
NI4B3
NI5AS2
NI5P2
NI7SI13
NICKEL
NICKEL-TETRACARBONYL-GAS
11-NICKEL-8-ARSENIDE
DINICKEL-PHOSPHIDE
DINICKEL-ORTHOSILICATE
NICKEL-ARSENATE
TRINICKEL-CARBIDE
TRINICKEL-PHOSPHIDE
TRINICKEL-DISULFIDE
TRINICKEL-DISULFIDE:SOL-1
TRINICKEL-DISULFIDE:SOL-2
TRINICKEL-TETRASULFIDE
3-NICKEL-TIN
3-NICKEL-2-TIN
3-NICKEL-TITANIUM
TETRANICKEL-TRIBORIDE
5-NICKEL-2-ARSENIDE
PENTANICKEL-DIPHOSPHIDE
7-NICKEL-13-SILICON
Databanks 1-151
INORGANIC Component
Databank: Np
1-152 Databanks
Alias
Name
NIAL2O4
NIAS
NIB
NIBR
NIBR2
NICL
NICL2
NICO3
NIF
NIF2
NII
NII2
NIO
NIO:A
NIO:B
NIO:C
NIS
NIS0.84
NIS2
NIS:A
NIS:B
NISB
NISE1.05
NISE1.143
NISE1.25
NISE1.25:A
NISE1.25:B
NISE1.25:C
NISE2
NISEO3
NISI
NISO4
NITE1.1
NITI
NITI2
NITIO3
NIWO4
NICKEL-DIALUMINIUM-TETRAOXIDE
NICKEL-ARSENIDE
NICKEL-MONOBORIDE
NICKEL-MONOBROMIDE-GAS
NICKEL-BROMIDE
NICKEL-MONOCHLORIDE-GAS
NICKEL-CHLORIDE
NICKEL-CARBONATE
NICKEL-MONOFLUORIDE-GAS
NICKEL-FLUORIDE
NICKEL-MONOIODIDE-GAS
NICKEL-IODIDE
NICKEL-OXIDE
NICKEL-OXIDE:SOL-A
NICKEL-OXIDE:SOL-B
NICKEL-OXIDE:SOL-C
NICKEL-SULFIDE
NICKEL-0.84-SULFIDE
NICKEL-DISULFIDE
NICKEL-SULFIDE:SOL-A
NICKEL-SULFIDE:SOL-B
NICKEL-ANTIMONY
NICKEL-1.05-SELENIDE
NICKEL-1.25-SELENIDE:SOL-A
NICKEL-1.25-SELENIDE:SOL-B
NICKEL-1.25-SELENIDE:SOL-C
NICKEL-DISELENIDE
NICKEL-SELENITE
NICKEL-SILICON
NICKEL-SULFATE
NICKEL-1.1-TELLURIDE
NICKEL-TITANIUM
NICKEL-2-TITANIUM
NICKEL-TITANIUM-TRIOXIDE
NICKEL-TUNGSTATE
Alias
Name
NP
NP:A
NP:B
NP:C
NPCL3
NPCL4
NPF3
NPF6
NEPTUNIUM
NEPTUNIUM:SOL-A
NEPTUNIUM:SOL-B
NEPTUNIUM:SOL-C
NEPTUNIUM-TRICHLORIDE
NEPTUNIUM-TETRACHLORIDE
NEPTUNIUM-TRIFLUORIDE
NEPTUNIUM-HEXAFLUORIDE
Alias
Name
NPO2
NPO3*H2O
NPOCL2
NEPTUNIUM-DIOXIDE
NEPTUNIUM-TRIOXIDE-HYDRATE
NEPTUNIUM-DICHLORIDE-OXIDE
INORGANIC Component
Databank: O
Alias
Name
O
1/2-O2
O2
O2S
O3
O3S
OD
OF2
OH
OXYGEN-MONATOMIC-GAS
1/2-OXYGEN
OXYGEN
SULFUR-DIOXIDE
OZONE
SULFUR-TRIOXIDE
HYDROXYL-D1-GAS
OXYGEN-DIFLUORIDE-GAS
HYDROXYL-GAS
INORGANIC Component
Databank: Os
Alias
Name
OS
OSO2
OSO4-Y
OSP2
OSS2
OSSE2
OSMIUM
OSMIUM-DIOXIDE
OSMIUM-TETRAOXIDE-YELLOW
OSMIUM-DIPHOSPHIDE
OSMIUM-DISULFIDE
OSMIUM-DISELENIDE
INORGANIC Component
Databank: P
Alias
Name
1/2-P2
1/4-P4
P-O
P-R
P-W
P2
P2O5-L
P4
P4O10
P4O6
P4S10
P4S3
P4S3:A
P4S3:B
P4S5
P4S6
P4S7
PBR3
PCL3-G
PCL5-G
PF3
PF5
PH3
PI3
1/2-PHOSPHORUS-P2
1/4-PHOSPHORUS-P4
PHOSPHORUS-MONOXIDE-GAS
PHOSPHORUS-RED
PHOSPHORUS-WHITE
PHOSPHORUS-DIATOMIC-GAS
DIPHOSPHORUS-PENTAOXIDE-LIQID
PHOSPHORUS-4-ATOMIC-GAS
TETRAPHOSPHORUS-HEXAOXIDE-GAS
PHOSPHORUS-PENTASULFIDE
TETRAPHOSPHORUS-TRISULFIDE
TETRAPHOSPHORUS-TRISULFIDE:SOL-A
TETRAPHOSPHORUS-TRISULFIDE:SOL-B
TETRAPHOSPHORUS-PENTASULFIDE
TETRAPHOSPHORUS-HEXASULFIDE
TETRAPHOSPHORUS-HEPTASULFIDE
PHOSPHORUS-TRIBROMIDE-GAS
PHOSPHORUS-TRICHLORIDE-GAS
PHOSPHORUS-PENTACHLORIDE-GAS
PHOSPHORUS-TRIFLUORIDE-GAS
PHOSPHORUS-PENTAFLUORIDE-GAS
PHOSPHINE
PHOSPHORUS-TRIIODIDE-GAS
Databanks 1-153
INORGANIC Component
Databank: Pb
1-154 Databanks
Alias
Name
PN
PO2
POBR3
POCL3
PS
PHOSPHORUS-MONONITRIDE-GAS
PHOSPHORUS-DIOXIDE-GAS
PHOSPHORUS-TRIBROMIDE-OXIDE-GAS
PHOSPHORUS-OXYCHLORIDE
PHOSPHORUS-MONOSULFIDE-GAS
Alias
Name
PB
PB2
PB2I4
PB2SIO4
PB3(ASO4)2
PB3O4
PB4SIO6
PBB2O4
PBB4O7
PBBR
PBBR2
PBBR4
PBCL
PBCL2
PBCL4
PBCO3
PBF
PBF2
PBF2:A
PBF2:B
PBF4
PBH
PBI
PBI2
PBI4
PBMOO4
PBO*PBCO3
PBO*PBSO4
2PBO*PBSO4
3PBO*PBSO4
4PBO*PBSO4
PBO-R
PBO-Y
PBO2
PBS
PBSE
PBSEO3
PBSEO4
PBSIO3
PBSO4
LEAD
LEAD-DIATOMIC-GAS
DILEAD-TETRAIODIDE-GAS
DILEAD-ORTHOSILICATE
LEAD-ARSENATE
TRILEAD-TETRAOXIDE
TETRALEAD-SILICATE
LEAD-DIBORATE
LEAD-TETRABORATE
LEAD-MONOBROMIDE-GAS
LEAD-DIBROMIDE
LEAD-TETRABROMIDE-GAS
LEAD-MONOCHLORIDE-GAS
LEAD-DICHLORIDE
LEAD-TETRACHLORIDE-GAS
LEAD-CARBONATE
LEAD-MONOFLUORIDE-GAS
LEAD-DIFLUORIDE
LEAD-DIFLUORIDE:SOL-A
LEAD-DIFLUORIDE:SOL-B
LEAD-TETRAFLUORIDE-GAS
LEAD-MONOHYDRIDE-GAS
LEAD-MONOIODIDE-GAS
LEAD-DIIODIDE
LEAD-TETRAIODIDE-GAS
LEAD-MOLYBDATE
DILEAD-OXIDE-CARBONATE
DILEAD-OXIDE-SULFATE
TRILEAD-DIOXIDE-SULFATE
TETRALEAD-TRIOXIDE-SULFATE
PENTALEAD-TETRAOXIDE-SULFATE
LEAD-OXIDE-RED
LEAD-OXIDE-YELLOW-MASSICOT
LEAD-DIOXIDE
LEAD-SULFIDE
LEAD-SELENIDE
LEAD-SELENITE
LEAD-SELENATE
LEAD-METASILICATE
LEAD-SULFATE
Alias
Name
PBSO4:A
PBSO4:B
PBTE
PBTIO3
PBTIO3:A
PBTIO3:B
PBWO4
LEAD-SULFATE:SOL-A
LEAD-SULFATE:SOL-B
LEAD-TELLURIDE
LEAD-TITANIUM-TRIOXIDE
LEAD-TITANIUM-TRIOXIDE:SOL-A
LEAD-TITANIUM-TRIOXIDE:SOL-B
LEAD-TUNGSTATE
INORGANIC Component
Databank: Pd
Alias
Name
PD
PD4S
PDCL2
PDF2
PDI2
PDI2:A
PDI2:B
PDO
PDS
PDS2
PDTE
PALLADIUM
TETRAPALLADIUM-SULFIDE
PALLADIUM-CHLORIDE
PALLADIUM-FLUORIDE
PALLADIUM-IODIDE
PALLADIUM-IODIDE:SOL-A
PALLADIUM-IODIDE:SOL-B
PALLADIUM-OXIDE
PALLADIUM-SULFIDE
PALLADIUM-DISULFIDE
PALLADIUM-TELLURIDE
INORGANIC Component
Databank: Pr
Alias
Name
PR
PR2O3
PR3S4
PR7O12
PR:A
PR:B
PRBR3
PRCL3
PRF3
PRH2
PRI3
PRO1.833
PRO1.833:A
PRO1.833:B
PRO2
PRS
PRASEODYMIUM
PRASEODYMIUM-OXIDE
TRIPRASEODYMIUM-TETRASULFIDE
7-PRASEODYMIUM-12-OXIDE
PRASEODYMIUM:SOL-A
PRASEODYMIUM:SOL-B
PRASEODYMIUM-BROMIDE
PRASEODYMIUM-CHLORIDE
PRASEODYMIUM-FLUORIDE
PRASEODYMIUM-DIHYDRIDE
PRASEODYMIUM-IODIDE
PRASEODYMIUM-1.833-OXIDE
PRASEODYMIUM-1.833-OXIDE:SOL-A
PRASEODYMIUM-1.833-OXIDE:SOL-B
PRASEODYMIUM-DIOXIDE
PRASEODYMIUM-MONOSULFIDE
INORGANIC Component
Databank: Pt
Alias
Name
PT
PT5SE4
PTBR2
PTBR3
PTBR4
PTCL2
PTCL3
PTCL4
PLATINUM
PENTAPLATINUM-TETRASELENIDE
PLATINUM-DIBROMIDE
PLATINUM-TRIBROMIDE
PLATINUM-TETRABROMIDE
PLATINUM-DICHLORIDE
PLATINUM-TRICHLORIDE
PLATINUM-TETRACHLORIDE
Databanks 1-155
Alias
Name
PTI4
PTO2
PTS
PTS2
PLATINUM-TETRAIODIDE
PLATINUM-DIOXIDE-GAS
PLATINUM-MONOSULFIDE
PLATINUM-DISULFIDE
INORGANIC Component
Databank: Pu
Alias
Name
PU
PU(SO4)2
PU2C3
PU2O3
PU2O3-B
PU2S3
PU:A
PU:B
PU:C
PU:D
PU:D1
PU:E
PUBR3
PUC0.88
PUC2
PUCL3
PUF3
PUF4
PUF6
PUH2
PUH3
PUI3
PUN
PUO
PUO2
PUOBR
PUOCL
PUOF
PUOI
PUS
PLUTONIUM
PLUTONIUM-DISULFATE
DIPLUTONIUM-TRICARBIDE
DIPLUTONIUM-TRIOXIDE-ALPHA
DIPLUTONIUM-TRIOXIDE-BETA
DIPLUTONIUM-TRISULFIDE
PLUTONIUM:SOL-A
PLUTONIUM:SOL-B
PLUTONIUM:SOL-C
PLUTONIUM:SOL-D
PLUTONIUM:S.-D1
PLUTONIUM:SOL-E
PLUTONIUM-TRIBROMIDE
PLUTONIUM-0.88-CARBIDE
PLUTONIUM-DICARBIDE
PLUTONIUM-TRICHLORIDE
PLUTONIUM-TRIFLUORIDE
PLUTONIUM-TETRAFLUORIDE
PLUTONIUM-HEXAFLUORIDE
PLUTONIUM-DIHYDRIDE
PLUTONIUM-TRIHYDRIDE
PLUTONIUM-TRIIODIDE
PLUTONIUM-NITRIDE
PLUTONIUM-OXIDE
PLUTONIUM-DIOXIDE
PLUTONIUM-BROMIDE-OXIDE
PLUTONIUM-CHLORIDE-OXIDE
PLUTONIUM-FLUORIDE-OXIDE
PLUTONIUM-IODIDE-OXIDE
PLUTONIUM-MONOSULFIDE
INORGANIC Component
Databank: Rb
Alias
Name
RB
RB2
RB2CL2
RB2CO3
RB2CO3:1
RB2CO3:2
RB2F2
RB2O
RB2O:A
RUBIDIUM
RUBIDIUM-DIATOMIC-GAS
DIRUBIDIUM-DICHLORIDE-GAS
RUBIDIUM-CARBONATE
RUBIDIUM-CARBONATE:SOL-1
RUBIDIUM-CARBONATE:SOL-2
DIRUBIDIUM-DIFLUORIDE-GAS
RUBIDIUM-OXIDE
RUBIDIUM-OXIDE:SOL-A
1-156 Databanks
Alias
Name
RB2O:B
RB2O:C
RB2SI2O5
RB2SI4O9
RB2SIO3
RB2SO4
RB2SO4:A
RB2SO4:B
RB3ASO4
RBBR
RBCL
RBF
RBI
RBO2
RUBIDIUM-OXIDE:SOL-B
RUBIDIUM-OXIDE:SOL-C
RUBIDIUM-DISILICATE
RUBIDIUM-TETRASILICATE
RUBIDIUM-METASILICATE
RUBIDIUM-SULFATE
RUBIDIUM-SULFATE:SOL-A
RUBIDIUM-SULFATE:SOL-B
RUBIDIUM-ARSENATE
RUBIDIUM-BROMIDE
RUBIDIUM-CHLORIDE
RUBIDIUM-FLUORIDE
RUBIDIUM-IODIDE
RUBIDIUM-PEROXIDE
INORGANIC Component
Databank: Re
Alias
Name
RE
RE2O7
RE2O7:A
RE2O7:B
RE2S7
RE2TE5
RE2Y
RE3AS7
RE5SI3
REASO4
REBR3
RECL3
REO2
REO3
RES2
RESI
RESI2
RHENIUM
DIRHENIUM-HEPTAOXIDE
DIRHENIUM-HEPTAOXIDE:SOL-A
DIRHENIUM-HEPTAOXIDE:SOL-B
DIRHENIUM-HEPTASULFIDE
DIRHENIUM-PENTATELLURIDE
2-RHENIUM-YTTRIUM
TRIRHENIUM-HEPTAARSENIDE
5-RHENIUM-3-SILICON
RHENIUM-ARSENATE
RHENIUM-TRIBROMIDE
RHENIUM-TRICHLORIDE
RHENIUM-DIOXIDE
RHENIUM-TRIOXIDE
RHENIUM-DISULFIDE
RHENIUM-SILICON
RHENIUM-2-SILICON
INORGANIC Component
Databank: Rh
Alias
Name
RH
RH2O3
RH3U
RHCL2
RHCL3
RHO2
RHODIUM
DIRHODIUM-TRIOXIDE
3-RHODIUM-URANIUM
RHODIUM-DICHLORIDE-GAS
RHODIUM-TRICHLORIDE
RHODIUM-DIOXIDE-GAS
INORGANIC Component
Databank: Ru
Alias
Name
RU
RU3U
RUCL3
RUCL4
RUF5
RUTHENIUM
3-RUTHENIUM-URANIUM
RUTHENIUM-TRICHLORIDE
RUTHENIUM-TETRACHLORIDE-GAS
RUTHENIUM-PENTAFLUORIDE
Databanks 1-157
Alias
Name
RUO2
RUO3
RUO4-G
RUS2
RUSE2
RUTHENIUM-DIOXIDE
RUTHENIUM-TRIOXIDE-GAS
RUTHENIUM-TETROXIDE-GAS
RUTHENIUM-DISULFIDE
RUTHENIUM-DISELENIDE
INORGANIC Component
Databank: S
Alias
Name
S
S-N
1/2-S2
S2
S2BR2
S2CL
S2CL2
S2F10
S2O
S3
S4
S5
S6
S7
S8
S:MO
S:RH
SCL
SCL2-G
SF
SF2
SF3
SF4
SF5
SF6-G
SO
SO2CL2-G
SO2F2
SOCL2-G
SOF2
SSF2
SULFUR
SULFUR-MONONITRIDE-GAS
1/2-SULFUR-S2
SULFUR-DIATOMIC-GAS
DISULFUR-DIBROMIDE-GAS
DISULFUR-CHLORIDE-RADICAL-GAS
DISULFUR-DICHLORIDE
DISULFUR-DECAFLUORIDE-GAS
DISULFUR-OXIDE-GAS
SULFUR-TRIATOMIC-GAS
SULFUR-4-ATOMIC-GAS
SULFUR-5-ATOMIC-GAS
SULFUR-6-ATOMIC-GAS
SULFUR-7-ATOMIC-GAS
SULFUR-8-ATOMIC-GAS
SULFUR-RHOMBIC-MONOCLINIC:S.MO
SULFUR-RHOMBIC-MONOCLINIC:S.RH
SULFUR-MONOCHLORIDE-GAS
SULFUR-DICHLORIDE-GAS
SULFUR-MONOFLUORIDE-GAS
SULFUR-DIFLUORIDE-GAS
SULFUR-TRIFLUORIDE-GAS
SULFUR-TETRAFLUORIDE-GAS
SULFUR-PENTAFLUORIDE-GAS
SULFUR-HEXAFLUORIDE-GAS
SULFUR-MONOXIDE-GAS
SULFONYL-DICHLORIDE-GAS
SULFONYL-DIFLUORIDE-GAS
SULFINYL-DICHLORIDE-GAS
SULFINYL-DIFLUORIDE-GAS
SULFINOTHIOYL-DIFLUORIDE-GAS
INORGANIC Component
Databank: Sb
Alias
Name
SB
SB2
SB2(SO4)3
SB2O3
SB2O3-O
ANTIMONY
ANTIMONY-DIATOMIC-GAS
DIANTIMONY-TRISULFATE
DIANTIMONY-TRIOXIDE-CUBIC
DIANTIMONY-TRIOXIDEORTHORHOMBIC
DIANTIMONY-TRIOXIDE-CUBIC:SOL-A
DIANTIMONY-TRIOXIDE-CUBIC:SOL-B
SB2O3:A
SB2O3:B
1-158 Databanks
Alias
Name
SB2O4
SB2O5
SB2S3
SB2S4
SB2SE3
SB2TE3
SB3S2
SB4
SB4O6
SB4S3
SBBR3
SBCL
SBCL3
SBCL5
SBF
SBF3
SBH3
SBI3
SBO
SBOCL
SBR2
SBS
SBSE
SBZN
DIANTIMONY-TETRAOXIDE
DIANTIMONY-PENTAOXIDE
DIANTIMONY-TRISULFIDE-BLACK
DIANTIMONY-TETRASULFIDE-GAS
DIANTIMONY-TRISELENIDE
DIANTIMONY-TRITELLURIDE
TRIANTIMONY-DISULFIDE-GAS
ANTIMONY-4-ATOMIC-GAS
TETRAANTIMONY-HEXAOXIDE-GAS
TETRAANTIMONY-TRISULFIDE-GAS
ANTIMONY-TRIBROMIDE
ANTIMONY-MONOCHLORIDE-GAS
ANTIMONY-TRICHLORIDE
ANTIMONY-PENTACHLORIDE-GAS
ANTIMONY-MONOFLUORIDE-GAS
ANTIMONY-TRIFLUORIDE
ANTIMONY-TRIHYDRIDE-GAS
ANTIMONY-TRIIODIDE
ANTIMONY-OXIDE-GAS
ANTIMONY-CHLORIDE-OXIDE
SULFUR-DIBROMIDE-GAS
ANTIMONY-SULFIDE-GAS
ANTIMONY-SELENIDE-GAS
ANTIMONY-ZINC
INORGANIC Component
Databank: Sc
Alias
Name
SC
SC2O3
SC:A
SC:B
SCASO4
SCBR3
SCCL3
SCF3
SCN
SCANDIUM
SCANDIUM-OXIDE
SCANDIUM:SOL-A
SCANDIUM:SOL-B
SCANDIUM-ARSENATE
SCANDIUM-BROMIDE
SCANDIUM-CHLORIDE
SCANDIUM-FLUORIDE
SCANDIUM-NITRIDE
INORGANIC Component
Databank: Se
Alias
Name
SE
SE2
SE2BR2
SE2CL2
SE3
SE4
SE5
SE6
SE7
SE8
SELENIUM
SELENIUM-DIATOMIC-GAS
DISELENIUM-DIBROMIDE-GAS
DISELENIUM-DICHLORIDE
SELENIUM-TRIATOMIC-GAS
SELENIUM-4-ATOMIC-GAS
Databanks 1-159
INORGANIC Component
Databank: Si
1-160 Databanks
Alias
Name
SEBR2
SECL2
SECL4
SEF
SEF2
SEF4
SEF5
SEF6
SEO
SEO2
SELENIUM-DIBROMIDE-GAS
SELENIUM-DICHLORIDE-GAS
SELENIUM-TETRACHLORIDE
SELENIUM-FLUORIDE-GAS
SELENIUM-DIFLUORIDE-GAS
SELENIUM-TETRAFLUORIDE-GAS
SELENIUM-PENTAFLUORIDE-GAS
SELENIUM-HEXAFLUORIDE-GAS
SELENIUM-OXIDE-GAS
SELENIUM-DIOXIDE
Alias
Name
SI
SI2
SI2H6-G
SI2TA
SI2TH
SI2TH3
SI2TI
SI2U
SI2U3
SI2V
SI2W
SI2ZR
SI3
SI3N4
SI3TA5
SI3TI5
SI3U
SI3V5
SI3W5
SI3ZR5
SI5TH3
SI5U3
SIBR
SIBR2
SIBR3
SIBR4
SIC-C
SICL
SICL2
SICL3
SICL4-G
SIF
SIF2
SIF3
SIF4-G
SILICON
SILICON-DIATOMIC-GAS
DISILANE-GAS
2-SILICON-TANTALUM
2-SILICON-THORIUM
2-SILICON-3-THORIUM
2-SILICON-TITANIUM
2-SILICON-URANIUM
2-SILICON-3-URANIUM
2-SILICON-VANADIUM
2-SILICON-TUNGSTEN
2-SILICON-ZIRCONIUM
SILICON-TRIATOMIC-GAS
TRISILICON-TETRANITRIDE-ALPHA
3-SILICON-5-TANTALUM
3-SILICON-5-TITANIUM
3-SILICON-URANIUM
3-SILICON-5-VANADIUM
3-SILICON-5-TUNGSTEN
3-SILICON-5-ZIRCONIUM
5-SILICON-3-THORIUM
5-SILICON-3-URANIUM
SILICON-MONOBROMIDE-GAS
SILICON-DIBROMIDE-GAS
SILICON-TRIBROMIDE-GAS
SILICON-TETRABROMIDE
SILICON-CARBIDE-CUBIC
SILICON-CHLORIDE-GAS
SILICON-DICHLORIDE-GAS
SILICON-TRICHLORIDE-GAS
SILICON-TETRACHLORIDE-GAS
SILICON-FLUORIDE-GAS
SILICON-DIFLUORIDE-GAS
SILICON-TRIFLUORIDE-GAS
SILICON-TETRAFLUORIDE-GAS
INORGANIC Component
Databank: Sm
Alias
Name
SIH
SIH4-G
SII
SII2
SII3
SII4
SIO
SIO2
SIO2-CR
SIO2:HC
SIO2:HQ
SIO2:LQ
SIOF2
SIP
SIS
SIS2
SISE
SITA2
SITH
SITI
SIU
SIU3
SIV3
SIZR
SIZR2
SILICON-HYDRIDE-GAS
SILANE-GAS
SILICON-IODIDE-GAS
SILICON-DIIODIDE-GAS
SILICON-TRIIODIDE-GAS
SILICON-TETRAIODIDE
SILICON-OXIDE-GAS
SILICON-DIOXIDE
SILICON-DIOXIDE-CRISTOBALITE
SILICON-DIOXIDE:S-HC
SILICON-DIOXIDE:S-HQ
SILICON-DIOXIDE:S-LQ
SILICON-DIFLUORIDE-OXIDE-GAS
SILICON-PHOSPHIDE
SILICON-SULFIDE-GAS
SILICON-DISULFIDE
SILICON-SELENIDE-GAS
SILICON-2-TANTALUM
SILICON-THORIUM
SILICON-TITANIUM
SILICON-URANIUM
SILICON-3-URANIUM
SILICON-3-VANADIUM
SILICON-ZIRCONIUM
SILICON-2-ZIRCONIUM
Alias
Name
SM
SM2O3
SM2O3-M
SM2O3-M:M1
SM2O3-M:M2
SM2ZR2O7
SM:A
SM:B
SMC2
SMC2:A
SMC2:B
SMCL2
SMCL3
SMOF
SMOF:A
SMOF:B
SAMARIUM
DISAMARIUM-TRIOXIDE-CUBIC
DISAMARIUM-TRIOXIDE-MONOCLINIC
DISAMARIUM-3-OXIDE-MONOCLINIC:M1
DISAMARIUM-3-OXIDE-MONOCLINIC:M2
DISAMARIUM-DIZIRCONIUM-HEPTAOXID
SAMARIUM:SOL-A
SAMARIUM:SOL-B
SAMARIUM-DICARBIDE
SAMARIUM-DICARBIDE:SOL-A
SAMARIUM-DICARBIDE:SOL-B
SAMARIUM-DICHLORIDE
SAMARIUM-TRICHLORIDE
SAMARIUM-FLUORIDE-OXIDE
SAMARIUM-FLUORIDE-OXIDE:SOL-A
SAMARIUM-FLUORIDE-OXIDE:SOL-B
Databanks 1-161
INORGANIC Component
Databank: Sn
Alias
Name
SN
SN(SO4)2
SN2I4
SN2S3
SN3(ASO4)2
SN3S4
SNBR2
SNBR4
SNCL
SNCL2
SNCL4
SNF
SNF2
SNH4
SNI2
SNI4
SNO
SNO2
SNS
SNS2
SNS:A
SNS:B
SNSE
SNSE2
SNSO4
SNTE
TIN-WHITE
TIN-DISULFATE
DITIN-TETRAIODIDE-GAS
DITIN-TRISULFIDE
TRITIN-ARSENATE
TRITIN-TETRASULFIDE
TIN-DIBROMIDE
TIN-TETRABROMIDE
TIN-MONOCHLORIDE-GAS
TIN-DICHLORIDE
TIN-TETRACHLORIDE
TIN-MONOFLUORIDE-GAS
TIN-DIFLUORIDE
TIN-TETRAHYDRIDE-GAS
TIN-DIIODIDE
TIN-TETRAIODIDE
TIN-MONOXIDE
TIN-DIOXIDE
TIN-MONOSULFIDE
TIN-DISULFIDE
TIN-MONOSULFIDE:SOL-A
TIN-MONOSULFIDE:SOL-B
TIN-MONOSELENIDE
TIN-DISELENIDE
TIN-MONOSULFATE
TIN-MONOTELLURIDE
INORGANIC Component
Databank: Sr
Alias
Name
SR
SR(OH)2
SR2SIO4
SR2TIO4
SR2TIO4:1
SR2TIO4:2
SR3(ASO4)2
SR3N2
SR4TI3O10
SR:A
SR:C
SRAL2O4
SRAL2O4:A
SRAL2O4:B
SRBR
SRBR2
SRBR2:A
SRBR2:B
SRC2
STRONTIUM
STRONTIUM-HYDROXIDE
STRONTIUM-ORTHOSILICATE
DISTRONTIUM-TITANIUM-TETRAOXIDE
DISTRONTIUM-TITANIUM-4-OXIDE:S-1
DISTRONTIUM-TITANIUM-4-OXIDE:S-2
STRONTIUM-ARSENATE
TRISTRONTIUM-DINITRIDE
TETRASTRONTIUM-TRITITANIUM-DECAO
STRONTIUM:SOL-A
STRONTIUM:SOL-C
STRONTIUM-DIALUMINIUM-TETRAOXIDE
STRONTIUM-DIALUMINIUM-4-OXIDE:A
STRONTIUM-DIALUMINIUM-4-OXIDE:B
STRONTIUM-MONOBROMIDE-GAS
STRONTIUM-BROMIDE
STRONTIUM-BROMIDE:SOL-A
STRONTIUM-BROMIDE:SOL-B
STRONTIUM-DICARBIDE
1-162 Databanks
INORGANIC Component
Databank: Ta
Alias
Name
SRCL
SRCL2
SRCO3
SRCO3:A
SRCO3:B
SRF2
SRF2:1
SRF2:2
SRF2:3
SRH2
SRI2
SRMOO4
SRO
SRO2
SROH
SRS
SRSIO3
SRSO4
SRSO4:1
SRSO4:2
SRTIO3
SRWO4
SRZRO3
STRONTIUM-MONOCHLORIDE-GAS
STRONTIUM-CHLORIDE
STRONTIUM-CARBONATE
STRONTIUM-CARBONATE:SOL-A
STRONTIUM-CARBONATE:SOL-B
STRONTIUM-FLUORIDE
STRONTIUM-FLUORIDE:SOL-1
STRONTIUM-HYDRIDE
STRONTIUM-IODIDE
STRONTIUM-MOLYBDATE
STRONTIUM-OXIDE
STRONTIUM-PEROXIDE
STRONTIUM-MONOHYDROXIDE-GAS
STRONTIUM-SULFIDE
STRONTIUM-METASILICATE
STRONTIUM-SULFATE
STRONTIUM-SULFATE:SOL-1
STRONTIUM-SULFATE:SOL-2
STRONTIUM-TITANIUM-TRIOXIDE
STRONTIUM-TUNGSTATE
STRONTIUM-ZIRCONIUM-TRIOXIDE
Alias
Name
TA
TA2C
TA2N
TA2O5
TAB2
TABR5
TAC
TACL
TACL2
TACL2.5
TACL3
TACL4
TACL5
TAF5
TAI5
TAN
TAO
TAO2
TAO2CL
TAOCL3
TAS
TAS2
TANTALUM
DITANTALUM-CARBIDE
DITANTALUM-NITRIDE
DITANTALUM-PENTOXIDE
TANTALUM-DIBORIDE
TANTALUM-PENTABROMIDE
TANTALUM-MONOCARBIDE
TANTALUM-MONOCHLORIDE-GAS
TANTALUM-DICHLORIDE-GAS
TANTALUM-2.5-CHLORIDE
TANTALUM-TRICHLORIDE
TANTALUM-TETRACHLORIDE
TANTALUM-PENTACHLORIDE
TANTALUM-PENTAFLUORIDE
TANTALUM-PENTAIODIDE
TANTALUM-MONONITRIDE
TANTALUM-MONOXIDE-GAS
TANTALUM-DIOXIDE-GAS
TANTALUM-CHLORIDE-DIOXIDE
TANTALUM-TRICHLORIDE-OXIDE
TANTALUM-MONOSULFIDE-GAS
TANTALUM-DISULFIDE
Databanks 1-163
INORGANIC Component
Databank: Tb
Alias
Name
TB
TB2O3
TB:A
TB:B
TBBR3
TBCL3
TBCL3:A
TBCL3:B
TBO1.72
TBO1.81
TBO2
TBS
TBSE
TBTE
TERBIUM
DITERBIUM-TRIOXIDE
TERBIUM:SOL-A
TERBIUM:SOL-B
TERBIUM-TRIBROMIDE-GAS
TERBIUM-TRICHLORIDE
TERBIUM-TRICHLORIDE:SOL-A
TERBIUM-TRICHLORIDE:SOL-B
TERBIUM-1.72-OXIDE
TERBIUM-1.81-OXIDE
TERBIUM-DIOXIDE
TERBIUM-SULFIDE-GAS
TERBIUM-SELENIDE-GAS
TERBIUM-TELLURIDE-GAS
INORGANIC Component
Databank: Te
Alias
Name
TE
TE2
TE2O2
TEBR4
TECL2
TECL4
TEF
TEF2
TEF4
TEF5
TEF6
TEO
TEO2
TELLURIUM
TELLURIUM-DIATOMIC-GAS
DITELLURIUM-DIOXIDE-GAS
TELLURIUM-TETRABROMIDE
TELLURIUM-DICHLORIDE-GAS
TELLURIUM-TETRACHLORIDE
TELLURIUM-MONOFLUORIDE-GAS
TELLURIUM-DIFLUORIDE-GAS
TELLURIUM-TETRAFLUORIDE-GAS
TELLURIUM-PENTAFLUORIDE-GAS
TELLURIUM-HEXAFLUORIDE-GAS
TELLURIUM-MONOXIDE-GAS
TELLURIUM-DIOXIDE
INORGANIC Component
Databank: Th
Alias
Name
TH
TH(SO4)2
TH2N2O
TH2S3
TH3N4
TH3P4
TH:A
TH:B
THBR4
THBR4:A
THBR4:B
THC1.94
THC1.94:A
THC1.94:B
THC1.94:C
THCL4
THORIUM
THORIUM-DISULFATE
DITHORIUM-DINITRIDE-MONOXIDE
DITHORIUM-TRISULFIDE
TRITHORIUM-TETRANITRIDE
TRITHORIUM-TETRAPHOSPHIDE
THORIUM:SOL-A
THORIUM:SOL-B
THORIUM-TETRABROMIDE
THORIUM-TETRABROMIDE:SOL-A
THORIUM-TETRABROMIDE:SOL-B
THORIUM-1.94-CARBIDE
THORIUM-1.94-CARBIDE:SOL-A
THORIUM-1.94-CARBIDE:SOL-B
THORIUM-1.94-CARBIDE:SOL-C
THORIUM-TETRACHLORIDE
1-164 Databanks
INORGANIC Component
Databank: Ti
Alias
Name
THCL4:A
THCL4:B
THF2
THF3
THF4
THH2
THI4
THN
THO
THO2
THOBR2
THOCL2
THOF2
THOI2
THP
THRE2
THS
THS2
THORIUM-TETRACHLORIDE:SOL-A
THORIUM-TETRACHLORIDE:SOL-B
THORIUM-DIFLUORIDE-GAS
THORIUM-TRIFLUORIDE-GAS
THORIUM-TETRAFLUORIDE
THORIUM-DIHYDRIDE
THORIUM-TETRAIODIDE
THORIUM-MONONITRIDE
THORIUM-MONOXIDE-GAS
THORIUM-DIOXIDE
THORIUM-DIBROMIDE-OXIDE
THORIUM-DICHLORIDE-OXIDE
THORIUM-DIFLUORIDE-OXIDE
THORIUM-DIIODIDE-OXIDE
THORIUM-MONOPHOSPHIDE
THORIUM-2-RHENIUM
THORIUM-MONOSULFIDE
THORIUM-DISULFIDE
Alias
Name
TI
TI2O3
TI2O3:A
TI2O3:B
TI3(ASO4)2
TI3O5
TI3O5:A
TI3O5:B
TI4O7
TI:A
TI:B
TIB
TIB2
TIBR
TIBR2
TIBR3
TIBR4
TIC
TICL
TICL2
TICL3
TICL4
TIF
TIF2
TIF3
TIF4
TIH2
TITANIUM
DITITANIUM-TRIOXIDE
DITITANIUM-TRIOXIDE:SOL-A
DITITANIUM-TRIOXIDE:SOL-B
TRITITANIUM-DIARSENATE
TRITITANIUM-PENTOXIDE
TRITITANIUM-PENTOXIDE:SOL-A
TRITITANIUM-PENTOXIDE:SOL-B
TETRATITANIUM-HEPTAOXIDE
TITANIUM:SOL-A
TITANIUM:SOL-B
TITANIUM-MONOBORIDE
TITANIUM-DIBORIDE
TITANIUM-MONOBROMIDE-GAS
TITANIUM-DIBROMIDE
TITANIUM-TRIBROMIDE
TITANIUM-TETRABROMIDE
TITANIUM-MONOCARBIDE
TITANIUM-MONOCHLORIDE-GAS
TITANIUM-DICHLORIDE
TITANIUM-TRICHLORIDE
TITANIUM-TETRACHLORIDE
TITANIUM-MONOFLUORIDE-GAS
TITANIUM-DIFLUORIDE-GAS
TITANIUM-TRIFLUORIDE
TITANIUM-TETRAFLUORIDE
TITANIUM-DIHYDRIDE
Databanks 1-165
INORGANIC Component
Databank: Tl
1-166 Databanks
Alias
Name
TII
TII2
TII3
TII4
TII4:A
TII4:B
TIN
TIO
TIO2
TIO2-A
TIO:A
TIO:B
TIOCL
TIOCL2
TIOF
TIOF2
TIS
TIS2
TIS2:A
TIS2:B
TITANIUM-MONOIODIDE-GAS
TITANIUM-DIIODIDE
TITANIUM-TRIIODIDE
TITANIUM-TETRAIODIDE
TITANIUM-TETRAIODIDE:SOL-A
TITANIUM-TETRAIODIDE:SOL-B
TITANIUM-MONONITRIDE
TITANIUM-MONOXIDE
TITANIUM-DIOXIDE-ANATASE
TITANIUM-MONOXIDE:SOL-A
TITANIUM-MONOXIDE:SOL-B
TITANIUM-CHLORIDE-OXIDE-GAS
TITANIUM-DICHLORIDE-OXIDE-GAS
TITANIUM-FLUORIDE-OXIDE-GAS
TITANIUM-DIFLUORIDE-OXIDE-GAS
TITANIUM-MONOSULFIDE
TITANIUM-DISULFIDE
TITANIUM-DISULFIDE:SOL-A
TITANIUM-DISULFIDE:SOL-B
Alias
Name
TL
TL2CL2
TL2F2
TL2O
TL2O3
TL2S
TL2SE
TL2SO4
TL2SO4:A
TL2SO4:B
TL2TE
TL:A
TL:B
TLASO4
TLBR
TLCL
TLCL3
TLF
TLF:A
TLF:B
TLI
TLI:A
TLI:B
TLSE
TLSE:A
THALLIUM
DITHALLIUM-DICHLORIDE-GAS
DITHALLIUM-DIFLUORIDE-GAS
THALLIUM-OXIDE
DITHALLIUM-TRIOXIDE
THALLIUM-SULFIDE
DITHALLIUM-SELENIDE
THALLIUM-SULFATE
THALLIUM-SULFATE:SOL-A
THALLIUM-SULFATE:SOL-B
THALLIUM-TELLURIDE
THALLIUM:SOL-A
THALLIUM:SOL-B
THALLIUM-ARSENATE
THALLIUM-BROMIDE
THALLIUM-CHLORIDE
THALLIUM-TRICHLORIDE
THALLIUM-FLUORIDE
THALLIUM-FLUORIDE:SOL-A
THALLIUM-FLUORIDE:SOL-B
THALLIUM-IODIDE
THALLIUM-IODIDE:SOL-A
THALLIUM-IODIDE:SOL-B
THALLIUM-SELENIDE
THALLIUM-SELENIDE:SOL-A
Alias
Name
TLSE:B
THALLIUM-SELENIDE:SOL-B
INORGANIC Component
Databank: Tm
Alias
Name
TM
TM2O3
TM2O3:A
TM2O3:B
TMBR3
TMCL3
TMF3
TMF3:A
TMF3:B
TMI3
THULIUM
DITHULIUM-TRIOXIDE
DITHULIUM-TRIOXIDE:SOL-A
DITHULIUM-TRIOXIDE:SOL-B
THULIUM-TRIBROMIDE-GAS
THULIUM-TRICHLORIDE
THULIUM-TRIFLUORIDE
THULIUM-TRIFLUORIDE:SOL-A
THULIUM-TRIFLUORIDE:SOL-B
THULIUM-TRIIODIDE-GAS
INORGANIC Component
Databank: U
Alias
Name
U
U(SO4)2
U2C3
U2S3
U3O8
URANIUM
URANIUM-DISULFATE
DIURANIUM-TRICARBIDE
DIURANIUM-TRISULFIDE
TRIURANIUM-OCTAOXIDEORTHORHOMBI
TETRAURANIUM-NONAOXIDE
TETRAURANIUM-NONAOXIDE:SOL-1
URANIUM:SOL-A
URANIUM:SOL-B
URANIUM:SOL-C
URANIUM-DODECABORIDE
URANIUM-DIBORIDE
URANIUM-TETRABORIDE
URANIUM-TRIBROMIDE
URANIUM-TETRABROMIDE
URANIUM-PENTABROMIDE
URANIUM-MONOCARBIDE
URANIUM-1.94-CARBIDE
URANIUM-TRICHLORIDE
URANIUM-TETRACHLORIDE
URANIUM-PENTACHLORIDE
URANIUM-HEXACHLORIDE
URANIUM-TRIFLUORIDE
URANIUM-TETRAFLUORIDE
URANIUM-4.25-FLUORIDE
URANIUM-4.5-FLUORIDE
URANIUM-PENTAFLUORIDE
URANIUM-HEXAFLUORIDE
URANIUM-TRIHYDRIDE-BETA
URANIUM-TRIIODIDE
U4O9
U4O9:1
U4O9:2
U4O9:3
U:A
U:B
U:C
UB12
UB2
UB4
UBR3
UBR4
UBR5
UC
UC1.94
UCL3
UCL4
UCL5
UCL6
UF3
UF4
UF4.25
UF4.5
UF5
UF6
UH3-B
UI3
Databanks 1-167
INORGANIC Component
Databank: V
1-168 Databanks
Alias
Name
UI4
UN
UO2
UO2(NO3)2
UO2BR2
UO2CL2
UO2F2
UO2SO4
UO3
UO3*2H2O
UO3*H2O
UOBR2
UOBR3
UOCL
UOCL2
UOCL3
US
US2
USE
URANIUM-TETRAIODIDE
URANIUM-NITRIDE
URANIUM-DIOXIDE
URANIUM-DINITRATE-DIOXIDE
URANIUM-DIBROMIDE-DIOXIDE
URANIUM-DICHLORIDE-DIOXIDE
URANIUM-DIFLUORIDE-DIOXIDE
URANIUM-SULFATE-DIOXIDE
URANIUM-TRIOXIDE-ORTHORHOMBIC
URANIUM-TRIOXIDE-DIHYDRATE
URANIUM-TRIOXIDE-MONOHYDRATE
URANIUM-DIBROMIDE-OXIDE
URANIUM-TRIBROMIDE-OXIDE
URANIUM-CHLORIDE-OXIDE
URANIUM-DICHLORIDE-OXIDE
URANIUM-TRICHLORIDE-OXIDE
URANIUM-SULFIDE
URANIUM-DISULFIDE
URANIUM-SELENIDE
Alias
Name
V
V2C
V2O3
V2O4
V2O4:1
V2O4:2
V2O5
V3B2
V3B4
VB
VB2
VBR2
VBR3
VBR4
VC0.88
VCL2
VCL3
VCL4
VF3
VF4
VF5
VI2
VI3
VN
VN0.465
VO
VANADIUM
DIVANADIUM-CARBIDE
DIVANADIUM-TRIOXIDE
DIVANADIUM-TETRAOXIDE
DIVANADIUM-TETRAOXIDE:SOL-1
DIVANADIUM-TETRAOXIDE:SOL-2
DIVANADIUM-PENTAOXIDE
TRIVANADIUM-DIBORIDE
TRIVANADIUM-TETRABORIDE
VANADIUM-BORIDE
VANADIUM-DIBORIDE
VANADIUM-DIBROMIDE
VANADIUM-TRIBROMIDE
VANADIUM-TETRABROMIDE-GAS
VANADIUM-0.88-CARBIDE
VANADIUM-DICHLORIDE
VANADIUM-TRICHLORIDE
VANADIUM-TETRACHLORIDE
VANADIUM-TRIFLUORIDE
VANADIUM-TETRAFLUORIDE
VANADIUM-PENTAFLUORIDE-GAS
VANADIUM-DIIODIDE
VANADIUM-TRIIODIDE
VANADIUM-NITRIDE
VANADIUM-0.465-NITRIDE
VANADIUM-OXIDE
Alias
Name
VO2
VOCL3
VANADIUM-DIOXIDE-GAS
VANADIUM-TRICHLORIDE-OXIDE
INORGANIC Component
Databank: W
Alias
Name
W
W(CO)6
W2C
W2CL10
W2O6
W3O8
W3O9
W4O12
WBR
WBR5
WBR6
WC
WCL
WCL2
WCL4
WCL5
WCL6
WCL6:A1
WCL6:A2
WCL6:B
WF
WF6
WO
WO2
WO2.72
WO2.90
WO2.96
WO2CL2
WO2I2
WO3
WO3:1
WO3:2
WOCL4
WOF4
WS2
TUNGSTEN
TUNGSTEN-HEXACARBONYL
DITUNGSTEN-CARBIDE
DITUNGSTEN-DECACHLORIDE-GAS
DITUNGSTEN-HEXAOXIDE-GAS
TRITUNGSTEN-OCTAOXIDE-GAS
TRITUNGSTEN-NONAOXIDE-GAS
TETRATUNGSTEN-DODECAOXIDE-GAS
TUNGSTEN-BROMIDE-GAS
TUNGSTEN-PENTABROMIDE
TUNGSTEN-HEXABROMIDE
TUNGSTEN-CARBIDE
TUNGSTEN-CHLORIDE-GAS
TUNGSTEN-DICHLORIDE
TUNGSTEN-TETRACHLORIDE
TUNGSTEN-PENTACHLORIDE
TUNGSTEN-HEXACHLORIDE
TUNGSTEN-HEXACHLORIDE:S.-A1
TUNGSTEN-HEXACHLORIDE:S.-A2
TUNGSTEN-HEXACHLORIDE:SOL-B
TUNGSTEN-FLUORIDE-GAS
TUNGSTEN-HEXAFLUORIDE-GAS
TUNGSTEN-OXIDE-GAS
TUNGSTEN-DIOXIDE
TUNGSTEN-2.72-OXIDE
TUNGSTEN-2.90-OXIDE
TUNGSTEN-2.96-OXIDE
TUNGSTEN-DICHLORIDE-DIOXIDE
TUNGSTEN-DIIODIDE-DIOXIDE-GAS
TUNGSTEN-TRIOXIDE
TUNGSTEN-TRIOXIDE:SOL-1
TUNGSTEN-TRIOXIDE:SOL-2
TUNGSTEN-TETRACHLORIDE-OXIDE
TUNGSTEN-TETRAFLUORIDE-OXIDE
TUNGSTEN-DISULFIDE
INORGANIC Component
Databank: Y
Alias
Name
Y
Y2O3
Y2O3:A
Y2O3:B
Y2ZR2O7
Y:A
YTTRIUM
DIYTTRIUM-TRIOXIDE
DIYTTRIUM-TRIOXIDE:SOL-A
DIYTTRIUM-TRIOXIDE:SOL-B
DIYTTRIUM-DIZIRCONIUM-HEPTAOXIDE
YTTRIUM:SOL-A
Databanks 1-169
Alias
Name
Y:B
YASO4
YCL3
YF3
YF3:A
YF3:B
YI3
YN
YTTRIUM:SOL-B
YTTRIUM-ARSENATE
YTTRIUM-TRICHLORIDE
YTTRIUM-TRIFLUORIDE
YTTRIUM-TRIFLUORIDE:SOL-A
YTTRIUM-TRIFLUORIDE:SOL-B
YTTRIUM-TRIIODIDE
YTTRIUM-NITRIDE
INORGANIC Component
Databank: Yb
Alias
Name
YB
YB2O3
YB2O3:A
YB2O3:B
YB:A
YB:B
YBCL2
YBCL3
YTTERBIUM
DIYTTERBIUM-TRIOXIDE
DIYTTERBIUM-TRIOXIDE:SOL-A
DIYTTERBIUM-TRIOXIDE:SOL-B
YTTERBIUM:SOL-A
YTTERBIUM:SOL-B
YTTERBIUM-DICHLORIDE
YTTERBIUM-TRICHLORIDE
INORGANIC Component
Databank: Zn
Alias
Name
ZN
ZN2SIO4
ZN2TIO4
ZN3(ASO4)2
ZN3(PO4)2
ZN3AS2
ZN3AS2:1
ZN3AS2:2
ZN3AS2:3
ZN3N2
ZN3O(SO4)2
ZN3P2
ZN3P2:1
ZN3P2:2
ZN3PO4-2:A
ZN3PO4-2:B
ZNBR2
ZNCL2
ZNCO3
ZNF2
ZNF2:A
ZNF2:B
ZNI2
ZNO
ZNP2
ZNS
ZNS-S
ZINC
ZINC-ORTHOSILICATE-WILLEMITE
DIZINC-TITANIUM-TETRAOXIDE
ZINC-ARSENATE
ZINC-PHOSPHATE
ZINC-ARSENIDE
ZINC-ARSENIDE:SOL-1
ZINC-ARSENIDE:SOL-2
ZINC-ARSENIDE:SOL-3
ZINC-NITRIDE
TRIZINC-DISULFATE-OXIDE
TRIZINC-DIPHOSPHIDE
TRIZINC-DIPHOSPHIDE:SOL-1
TRIZINC-DIPHOSPHIDE:SOL-2
ZINC-PHOSPHATE:SOL-A
ZINC-PHOSPHATE:SOL-B
ZINC-BROMIDE
ZINC-CHLORIDE
ZINC-CARBONATE
ZINC-FLUORIDE
ZINC-FLUORIDE:SOL-A
ZINC-FLUORIDE:SOL-B
ZINC-IODIDE
ZINC-OXIDE
ZINC-DIPHOSPHIDE
ZINC-SULFIDE-WURTZITE
ZINC-SULFIDE-SPHALERITE
1-170 Databanks
INORGANIC Component
Databank: Zr
Alias
Name
ZNSE
ZNSEO3
ZNSIO3
ZNSO4
ZNSO4*2H2O
ZNSO4*6H2O
ZNSO4*7H2O
ZNSO4*H2O
ZNSO4:1
ZNSO4:2
ZNTE
ZNWO4
ZINC-SELENIDE
ZINC-SELENITE
ZINC-METASILICATE
ZINC-SULFATE
ZINC-SULFATE-DIHYDRATE
ZINC-SULFATE-HEXAHYDRATE
ZINC-SULFATE-HEPTAHYDRATE
ZINC-SULFATE-MONOHYDRATE
ZINC-SULFATE:SOL-1
ZINC-SULFATE:SOL-2
ZINC-TELLURIDE
ZINC-TUNGSTATE
Alias
Name
ZR
ZR:A
ZR:B
ZRB2
ZRBR
ZRBR2
ZRBR3
ZRBR4
ZRC
ZRCL
ZRCL2
ZRCL3
ZRCL4
ZRF
ZRF2
ZRF3
ZRF4
ZRF4:A
ZRF4:B
ZRH
ZRI
ZRI2
ZRI3
ZRI4
ZRN
ZRO
ZRO2
ZRO2:A
ZRO2:B
ZRS
ZRS2
ZRSIO4
ZIRCONIUM
ZIRCONIUM:SOL-A
ZIRCONIUM:SOL-B
ZIRCONIUM-DIBORIDE
ZIRCONIUM-MONOBROMIDE-GAS
ZIRCONIUM-DIBROMIDE
ZIRCONIUM-TRIBROMIDE
ZIRCONIUM-TETRABROMIDE
ZIRCONIUM-CARBIDE
ZIRCONIUM-MONOCHLORIDE-GAS
ZIRCONIUM-DICHLORIDE
ZIRCONIUM-TRICHLORIDE
ZIRCONIUM-TETRACHLORIDE
ZIRCONIUM-MONOFLUORIDE-GAS
ZIRCONIUM-DIFLUORIDE
ZIRCONIUM-TRIFLUORIDE
ZIRCONIUM-TETRAFLUORIDE
ZIRCONIUM-TETRAFLUORIDE:SOL-A
ZIRCONIUM-TETRAFLUORIDE:SOL-B
ZIRCONIUM-HYDRIDE-GAS
ZIRCONIUM-MONOIODIDE-GAS
ZIRCONIUM-DIIODIDE
ZIRCONIUM-TRIIODIDE
ZIRCONIUM-TETRAIODIDE
ZIRCONIUM-NITRIDE
ZIRCONIUM-MONOXIDE-GAS
ZIRCONIUM-DIOXIDE
ZIRCONIUM-DIOXIDE:SOL-A
ZIRCONIUM-DIOXIDE:SOL-B
ZIRCONIUM-MONOSULFIDE-GAS
ZIRCONIUM-DISULFIDE
ZIRCONIUM-ORTHOSILICATE
Databanks 1-171
INORGANIC Component
Databank: Other
Elements
1-172 Databanks
Alias
Name
ALBITE-HIGH
NAALSI3O8-H
ALUNITE
KAL3(OH)6(SO4)2
AM
AMERICIUM
AM:A
AMERICIUM:SOL-A
AM:B
AMERICIUM:SOL-B
AM:C
AMERICIUM:SOL-C
ANALCITE
NAALSI2O6*H2O
ANDRADITE
CA3FE2SI3O12
ANNITE
KFE3(ALSI3)O10(OH)2
ANTHOPHYLLIT ANTHOPHYLLITE
ANTIGORITE
MG48SI34O85(OH)62
AR
ARGON
ARTINITE
MG2(OH)2(CO3)*3H2O
AZURITE
CU3(OH)2(CO3)2
BR
BROMINE-MONATOMIC-GAS
BR2
BROMINE
CHRYSOTILE
MG3SI2O5(OH)4
CLINOCHL-14A MG5AL(ALSI3)O10(OH)8-14A
CLINOCHLO-7A MG5AL(ALSI3)O10(OH)8-7A
CLINOZOISITE CA2AL3SI3O12(OH)-C
CORDIERITE-H MG2AL3(ALSI5)O18*H20
DIASPORE-D
ALO(OH)-D
DICKITE
AL2SI2O7*2H2O-D
DOLOMITE-D
CAMG(CO3)2-D
DOLOMITE-O
CAMG(CO3)2-O
EELECTRON-GAS
EPIDOTE
CA2FEAL2SI3O12(OH)
EPIDOTE-O
CA2FEAL2SI3O12(OH)-O
F
FLUORINE-MONATOMIC-GAS
F2
FLUORINE
HALLOYSITE
AL2SI2O7*2H2O-H
HE
HELIUM
HEDENBERGITE CAFE(SIO3)2
HUNTITE
CAMG3(CO3)4
HYDROMAGNES MG5(OH)2(CO3)4*4H20
I
I
IODINE-MONATOMIC-GAS
I2
IODINE
KAOLINITE
AL2SI2O7*2H2O
KR
KRYPTON
LAUMONTITE CA(AL2SI4)O12*4H2O
LAWSONITE
CAAL2SI2O8*2H2O
LU
LUTETIUM
LU2O3
LUTETIUM-OXIDE
MALACHITE
CU2(OH)2(CO3)
MARGARITE
CAAL2(AL2SI2)O10(OH)2
MUSCOVITE
KAL3SI3O10(OH)2
Alias
Name
NE
NESQUEHONITE
PA
PA:A
PA:B
PARAGONITE
PARGASITE
PHLOGOPITE
PREHNITE
PYROPHYLLITE
RN-G
SEPIOLITE
TALC
TC
TC2O7
TCO2
TCO3
TREMOLITE
WAIRAKITE
XE
ZOISITE
NEON
MGCO3*3H2O
PROTACTINIUM
PROTACTINIUM:SOL-A
PROTACTINIUM:SOL-B
NAAL2(ALSI3)O10(OH)2
NA(CA2MG4AL)(AL2SI6)O22(OH)2
KMG3(ALSI3)O10(OH)2
CA2AL2SI3O10(OH)2
AL2SI4O10(OH)2
RADON-MONATOMIC-GAS
MG4SI6O15(OH)2(H2O)2*4H2O
MG3SI4O10(OH)2
TECHNETIUM
DITECHNETIUM-HEPTAOXIDE
TECHNETIUM-DIOXIDE
TECHNETIUM-TRIOXIDE
CA2MG5SI8O23*H2O
CA(AL2SI4)O12*2H2O
XENON
CA2AL3SI3O12(OH)-A
Databanks 1-173
Solids Component Databank

The tables below list the components present in the SOLIDS
component databank.
SOLIDS Component
Databank Parameters
Ag
Al
Au
Ba
Be
Bi
Ca
Cd
Ce
Co
Cr
Cs
Cu
Dy
Er
Eu
Fe
Ga
Gd
Hg
Ho
In
La
Li
Lu
Mg
Mn
Mo
Na
Nb
Nd
Ni
Pa
Pb
Pd
Pr
Pt
Ra
Rb
Sb
Sc
Si
Sm
Sn
Sr
Tb
Th
Ti
Tl
Yb
Zn
Zr
Other Elements
Parameter
Name
Description
ATOMNO
Vector containing the atom types (atomic numbers) for a

given molecule (e.g., H=1, C=6, O=8). Must use the
vector NOATOM to define the number of occurrences
of each atom.
Ideal gas heat capacity coefficient
Solid heat capacity coefficients
Solids free energy of formation at 25C
Standard heat of formation
Heat of fusion at TFP
Solids heat of formation at 25C
Heat of vaporization at TB
Watson heat of vaporization parameters
Molecular weight
Vector containing the number of occurrences of each
atom defined in ATOMNO for a given molecule.
ATOMNO and NOATOM define the chemical formula
of the molecule.
Pitzer acentric factor
Critical pressure
Antoine liquid vapor pressure coefficients
Antoine solid vapor pressure coefficients
Boiling point
Critical temperature
Freezing point
CPIG
CPSPO1
DGFORM
DGSFRM
DHFORM
DHLSF
DHSFRM
DHVLB
DHVLWT
MW
NOATOM
OMEGA
PC
PLXANT
PSANT
TB
TC
TFP
1-174 Databanks
Parameter
Name
Description
VC
VSPOLY
ZC
Critical volume
Solid molar volume coefficients
Critical compressibility factor
Vectors ATOMNO and NOATOM together form the chemical

formula of the compound. They are used to calculate molecular
weight and are used in RGIBBS
DGFORM and DHFORM are calculated for Ideal gas at 25C
SOLIDS Component
Databank: Ag
Alias
Name
AG
AG2C2
AG2C2O4
AG2H3IO6
AG2HGI4
AG2HVO4
AG2MOO4
AG2N2O2
AG2PTBR6
AG2PTCL6
AG2S2O6*2W
AG2SEO3
AG2SEO4
AG2SO3
AG3C2CL
AG3C2I
AG3C2NO3
AG3H2VO5
AG3I4H*7W
AG3IN2O6
AG3N
AG3P3O9*W
AG3PO4
AG4C2I2
AG4C2SO4
AG4FEC6N6*W
AG4P2O7
AG5C4CL
AG6C4SO4
AGAUF4
AGBR
AGBR*1.5NH3
AGBR4AL
AGBR7AL2
AGBRCH5N
AGBRNH3
SILVER
AG2C2
AG2C2O4
AG2H3IO6
AG2HGI4
AG2HVO4
AG2MOO4
AG2N2O2
AG2PTBR6
AG2PTCL6
AG2S2O6*2H2O
AG2SEO3
AG2SEO4
AG2SO3
AG2C2*AGCL
AG2C2*AGI
AG2C2*AGNO3
AG2HVO4*AGOH
(AGI)3*HI*7H2O
AG3I(NO3)2
AG3N
(AGPO3)3*H2O
AG3PO4
AG2C2*2AGI
AG2C2*AG2SO4
AG4FE(CN)6*H2O
AG4P2O7
(AG2C2)2*AGCL
(AG2C2)2*AG2SO4
AGAUF4
SILVER-BROMIDE
AGBR*1.5NH3
AGBR*ALBR3
AGBR*2ALBR3
AGBR*CH3NH2
AGBR*NH3
Databanks 1-175
SOLIDS Component
Databank: Al
1-176 Databanks
Alias
Name
AGCH3CO2
AGCL
AGCL*1.5NH3
AGCL*NH3
AGCL4AL
AGCLCH5N
AGCLO2
AGCLO4
AGCN2
AGCN2H3
AGF*2W
AGF*4W
AGF2
AGI
AGI*0.5NH3
AGI*0.5PH3
AGINH3
AGIO3
AGN2H6CLO4
AGN3
AGN3H6O3
AGN3H9BR
AGN3H9CL
AGN3H9CLO4
AGN4H9O3
AGNO2
AGOCN
AGONC
AGREO4
AGSCN
AGVO3
SILVER-ACETATE
SILVER-CHLORIDE
AGCL*1.5NH3
AGCL*NH3
AGCL*ALCL3
AGCL*CH3NH2
AGCLO2
AGCLO4
SILVER-CYANAMIDE
AGCN*NH3
AGF*2H2O
AGF*4H2O
AGF2
SILVER-IODIDE
AGI*0.5NH3
AGI*0.5PH3
AGI*NH3
AGIO3
AG(NH3)2CLO4
AGN3
AG(NH3)2NO3
AG(NH3)3BR
AG(NH3)3CL
AG(NH3)3CLO4
AG(NH3)3NO3
AGNO2
SILVER-CYANATE
SILVER-FULMINATE
AGREO4
SILVER-THIOCYANATE
AGVO3
Alias
Name
AL
AL(OH)3
AL2CL9ZN1.5
AL2NABR6CL
AL2NABR7
AL2O3
AL2O3-2
AL2S3O12*18W
AL2S3O12*6W
AL2SIO5-S
AL6SI2O13
ALB12-A
ALBR3*14NH3
ALBR3*3NH3
ALUMINIUM
ALUMINIUM-HYDROXIDE
AL2CL6*1.5ZNCL2
(ALBR3)2*NACL
(ALBR3)2*NABR
ALUMINIUM-OXIDE-ALUMINA
AL2(SO4)3*18H2O
ALUMINUM-SULFATE-HEXAHYDRATE
ALUMINIUM-SILICATE-SILLIMANITE
MULLITE
ALB12-ALPHA
ALBR3*14NH3
ALBR3*3NH3
SOLIDS Component
Databank: Au
Alias
Name
ALBR3*5NH3
ALBR3*6NH3
ALBR3*7NH3
ALBR3*9NH3
ALBR3*H2S
ALBR3*NABR
ALBR3*NACL
ALBR3*NH3
ALBR3*PH3
ALC3H9
ALC6H9O6
ALCL3*0.5SO2
ALCL3*14NH3
ALCL3*3NH3
ALCL3*5NH3
ALCL3*6NH3
ALCL3*7NH3
ALCL3*H2S
ALCL3*NABR
ALCL3*NACL
ALCL3*NH3
ALCL3*NH4CL
ALCL3*PH3
ALCL3*SO2
ALCL4N7H22
ALI3*13NH3
ALI3*20NH3
ALI3*2H2S
ALI3*3NH3
ALI3*5NH3
ALI3*6NH3
ALI3*7NH3
ALI3*9NH3
ALI3*NH3
ALN3O9*6W
ALN3O9*9W
ALO(OH)
ALBR3*5NH3
ALBR3*6NH3
ALBR3*7NH3
ALBR3*9NH3
ALBR3*H2S
ALBR3*NABR
ALBR3*NACL
ALBR3*NH3
ALBR3*PH3
AL(CH3)3
ALUMINUM-ACETATE
ALCL3*0.5SO2
ALCL3*14NH3
ALCL3*3NH3
ALCL3*5NH3
ALCL3*6NH3
ALCL3*7NH3
ALCL3*H2S
ALCL3*NABR
ALCL3*NACL
ALCL3*NH3
ALCL3*NH4CL
ALCL3*PH3
ALCL3*SO2
ALCL3*NH4CL*6NH3
ALI3*13NH3
ALI3*20NH3
ALI3*2H2S
ALI3*3NH3
ALI3*5NH3
ALI3*6NH3
ALI3*7NH3
ALI3*9NH3
ALI3*NH3
ALUMINUM-NITRATE-HEXAHYDRATE
ALUMINUM-NITRATE-NONAHYDRATE
BOEHMITE-ALO(OH)
Alias
Name
AU
AU2PB
AUBR*2NH3
AUBR*3NH3
AUBR*4NH3
AUBR*6NH3
AUBR*NH3
AUBR3
GOLD
AU2PB
AUBR*2NH3
AUBR*3NH3
AUBR*4NH3
AUBR*6NH3
AUBR*NH3
AUBR3
Databanks 1-177
Alias
Name
AUCL*2NH3
AUCL*NH3
AUCL3*2W
AUI*2NH3
AUI*3NH3
AUI*6NH3
AUI*NH3
AUI*PH3
AUIN
AUIN2
AUPB2
AUCL*2NH3
AUCL*NH3
AUCL3*2H2O
AUI*2NH3
AUI*3NH3
AUI*6NH3
AUI*NH3
AUI*PH3
AUIN
AUIN2
AUPB2
SOLIDS Component
Databank: B
Alias
Name
B
B10H14
B13P2
B2O3
B3N3H3CL3
BC4H12NH2
BF3*PC3H9
BH3NH2CH3
BO3C3H9*NH3
BO3C6H12N
BORON
DECABORANE
B13P2
BORON-OXIDE
TRICHLOROBORAZOLE-BETA
B(CH3)3*NH2CH3
BF3*P(CH3)3
BH3NH2CH3
B(OCH3)3*NH3
TRIETHANOLAMINE-BORATE
SOLIDS Component
Databank: Ba
Alias
Name
1-178 Databanks
BA
BARIUM
BA(C2H5O)2
BA(C2H5O)2
BA(CH3CO2)2
BA(CH3CO2)2
BA(CH3CO3)2
BA(CH2OHCO2)2
BA(CN)2
BA(CN)2
BA(CN)2*2W
BA(CN)2*2H2O
BA(CN)2*W
BA(CN)2*H2O
BA(CNO)2
BA(CNO)2
BA(H2PO2)2*W BA(H2PO2)2*H2O
BA(H2PO4)2
BA(H2PO4)2
BA(HCO2)2
BA(HCO2)2
BA(IO3)2
BA(IO3)2
BA(IO3)2*W
BA(IO3)2*H2O
BA(NH2)2
BA(NH2)2
BA(NH3)6
BA(NH3)6
BA(NO2)2
BA(NO2)2
BA(NO2)2*W
BA(NO2)2*H2O
BA(REO4)2*4W BA(REO4)2*4H2O
BA2AL2O5*5W (BAO)2*AL2O3*5H2O
BA2N
BA2N
BA2NBR
BA2NBR
BA2NCL
BA2NCL
Alias
Name
BA2TL(NO2)5
(BA(NO2)2)2*TLNO2
BA3(ASO4)2-P
BARIUM-ARSENATE-PRECIPITATE
BA3(RHCL6)2
BA3(RHCL6)2
BA3AL4CL18
(BACL2)3*2AL2CL6
BA3P2O8
BA3(PO4)2-COLLOIDAL
BA3WO6
BA3WO6
BA6NI9
BA6NI9
BAAL4
BAAL4
BABR2*2NH3
BABR2*2NH3
BABR2*2W
BABR2*2H2O
BABR2*4NH3
BABR2*4NH3
BABR2*8NH3
BABR2*8NH3
BABR2*BAO*2W BABR2*BAO*2H2O
BABR2*BAO*5W BABR2*BAO*5H2O
BABR2*NH3
BABR2*NH3
BABR2*W
BABR2*H2O
BABR2O6
BA(BRO3)2
BABR2O6*W
BA(BRO3)2*H2O
BAC2O4
BAC2O4
BAC2O4*0.5W
BAC2O4*0.5H2O
BAC2O4*2W
BAC2O4*2H2O
BAC2O4*3.5W
BAC2O4*3.5H2O
BAC4H14S2O10 BA(C2H5SO4)2*2H2O
BAC4H6O4*3W BA(CH3CO2)2*3H2O
BACA(CO3)2
BACA(CO3)2
BACL2*2W
BACL2*2H2O
BACL2*8NH3
BACL2*8NH3
BACL2*AL2CL6 BACL2*AL2CL6
BACL2*BAO*3W BACL2*BAO*3H2O
BACL2*W
BACL2*H2O
BACL2O4
BA(CLO2)2
BACL2O4*3.5W BA(CLO2)2*3.5H2O
BACL2O6
BA(CLO3)2
BACL2O6*W
BA(CLO3)2*H2O
BACL2O8
BA(CLO4)2
BACL2O8*2NH3 BA(CLO4)2*2NH3
BACL2O8*3W
BA(CLO4)2*3H2O
BACL2O8*6NH3 BA(CLO4)2*6NH3
BACLF
BACLF
BACLH
BACLH
BACN2
BACN2
BACO3
BARIUM-CARBONATE
BACS3
BACS3
BAF2
BARIUM-FLUORIDE
BAH4AS2O8*2W BA(H2ASO4)2*2H2O
Databanks 1-179
1-180 Databanks
Alias
Name
BAH4P2O4
BAH4S3O12*W
BAHASO4*W
BAHPO4
BAI2*10NH3
BAI2*2.5W
BAI2*2NH3
BAI2*2PBI
BAI2*2SO2
BAI2*2W
BAI2*4NH3
BAI2*4SO2
BAI2*6NH3
BAI2*7W
BAI2*8NH3
BAI2*9NH3
BAI2*BAO*2W
BAI2*BAO*9W
BAI2*W
BAIH
BAMG2
BAMNO4
BAMOO3
BAN2
BAN6*W
BANH
BAO*2SIO2
BAO*AL2O3
BAO*AL2O3*2W
BAO*AL2O3*4W
BAO*AL2O3*7W
BAO*AL2O3*W
BAO*GEO2
BAO*SIO2
(BAO)2*3SIO2
(BAO)2*GEO2
(BAO)2*SIO2
(BAO)3*AL2O3
(BAO)3*GEO2
3BAO*4C2H6O
3BAO*4CH4O
BAO2H2*3W
BAO2H2*8W
BAO2H2*W
BAOSCL6
BAPB2I6*7W
BAPDCL4
BA(H2PO2)2
BASO4*2H2SO4*H2O
BAHASO4*H2O
BAHPO4
BAI2*10NH3
BAI2*2.5H2O
BAI2*2NH3
BAI2*2PBI2
BAI2*2SO2
BAI2*2H2O
BAI2*4NH3
BAI2*4SO2
BAI2*6NH3
BAI2*7H2O
BAI2*8NH3
BAI2*9NH3
BAI2*BAO*2H2O
BAI2*BAO*9H2O
BAI2*H2O
BAIH
BAMG2
BAMNO4
BAMOO3
BAN2
BA(N3)2*H2O
BANH
BAO*2SIO2
BAO*AL2O3
BAO*AL2O3*2H2O
BAO*AL2O3*4H2O
BAO*AL2O3*7H2O
BAO*AL2O3*H2O
BAO*GEO2
BAO*SIO2
(BAO)2*3SIO2
(BAO)2*GEO2
(BAO)2*SIO2
(BAO)3*AL2O3
(BAO)3*GEO2
(BAO)3*4C2H5OH
(BAO)3*4CH3OH
BA(OH)2*3H2O
BA(OH)2*8H2O
BA(OH)2*H2O
BAOSCL6
BAI2*2PBI2*7H2O
BAPDCL4
SOLIDS Component
Databank: Be
Alias
Name
BAPTCL6
BAPTCL6*6W
BARUO4*W
BAS2O3
BAS2O6*2W
BAS2O8*4W
BAS4O6*2W
BASE
BASEO3
BASEO4
BASIF6
BASO3
BASO4
BASO4*H2SO4
BASRTIO4
BAPTCL6
BAPTCL6*6H2O
BARUO4*H2O
BAS2O3
BAS2O6*2H2O
BAS2O8*4H2O
BAS4O6*2H2O
BASE
BASEO3
BASEO4
BASIF6
BASO3
BARIUM-SULFATE
BASO4*H2SO4
BASRTIO4
Alias
Name
BE
BE2SIO4
BE3B2O6
BEBR2*10NH3
BEBR2*2H2S
BEBR2*4NH3
BEBR2*6NH3
BECL2*12NH3
BECL2*2NH3
BECL2*4NH3
BECL2*4W
BECL2*6NH3
BECO3
BEH2
BEI2*13NH3
BEI2*2H2S
BEI2*4NH3
BEI2*6NH3
BEMOO4
BEO*3AL2O3
BEO*AL2O3
BESEO4
BESEO4*2W
BESEO4*4W
BESO4
BESO4*W
BERYLLIUM
BERYLLIUM-SILICATE-PHENACITE
TRIBERYLLIUM-DIBORATE
BEBR2*10NH3
BEBR2*2H2S
BEBR2*4NH3
BEBR2*6NH3
BECL2*12NH3
BECL2*2NH3
BECL2*4NH3
BECL2*4H2O
BECL2*6NH3
BECO3
BEH2
BEI2*13NH3
BEI2*2H2S
BEI2*4NH3
BEI2*6NH3
BEMOO4
BEO*3AL2O3
BEO*AL2O3
BESEO4
BESEO4*2H2O
BESEO4*4H2O
BERYLLIUM-SULFATE
BESO4*H2O
Databanks 1-181
SOLIDS Component
Databank: Bi
Alias
Name
BI
BI(OH)2CL
BI(OH)3
BIOBR
BIONO3
BIOOH
BISMUTH
BI(OH)2CL
BISMUTH-HYDROXIDE
BIOBR
BIONO3
BIOOH
SOLIDS Component
Databank: C
Alias
Name
C
C2H4O8S2K2
C2H5OK
C2O3.5H4NA
C2O4H3NA
C3H9AS*BC3H9
C3H9AS*BF3
C3H9B*NH3
C3H9N*ALBR3
C3H9N*ALCL3
C3H9N*BC3H9
C3H9N*BH3
C3H9NB3H7
C3H9P*BC3H9
C4H11N*BC3H9
C4H11O2CS
C4H11O2K
C4H12N*BH4
CCL3COONA
CH2OHCOONA
CH2SO4
CH3COOK
CH3COONH4
CARBON-GRAPHITE
C2H2O2*2KHSO3
C2H5OK
CH2OHCOONA*0.5H2O
CH(OH)2COONA
(CH3)3AS*B(CH3)3
(CH3)3AS*BF3
(CH3)3B*NH3
(CH3)3N*ALBR3
(CH3)3N*ALCL3
(CH3)3N*B(CH3)3
(CH3)3N*BH3
(CH3)3NB3H7
(CH3)3P*B(CH3)3
(C2H5)2NH*B(CH3)3
C2H5OCS*C2H5OH
C2H5OK*C2H5OH
(CH3)4N*BH4
CCL3COONA
CH2OHCOONA
METHYLENE-SULFATE
CH3COOK
AMMONIUM-ACETATE
SOLIDS Component
Databank: Ca
Alias
Name
CA
CA(OH)2
CA10P6O24F2
CA10P6O26H2
CA12AL14O33
CA2AL2O5
CA2AL2O5*5W
CA2AL2SIO7
CA2B2O5
CA2B2SI2O9
CA2B2SI2O9*W
CA2B6O11
CA2B6O11*13W
CA2FE2O5
CALCIUM
CALCIUM-HYDROXIDE
CA10(PO4)6F2
CA10(PO4)6(OH)2
(CAO)12*7AL2O3
(CAO)2*AL2O3
(CAO)2*AL2O3*5H2O
GEHLENITE
DICALCIUM-DIBORATE
(CAO)2*B2O3*2SIO2
(CAO)2*B2O3*2SIO2*H2O
(CAO)2*3B2O3
(CAO)2*3B2O3*13H2O
DICALCIUM-DIIRON-PENTAOXIDE
1-182 Databanks
Alias
Name
CA2GEO4
CA2MGSI2O7
CA2N2O10.5H7
CA2N2O8H2
CA2SIO4-B
CA2V2O7
CA3AL2O6
CA3AL2O6*6W
CA3AL2SI2O10
CA3AL4CL18
CA3B2O6
CA3BI2
CA3CL2O2
CA3GEO5
CA3MGSI2O8
CA3O7C8H24
CA3P2O8-A
CA3P2O8-B
CA3TI2O7
CA3V2O8
CA4AL2O7
CA4BR2O19H32
CA4CL2O3
CA4CL2O3*16W
CA4CL2O3*3W
CA4I2O19H32
CA4SI2O7F2
CA5I2O12
CA8H12P6O29
CAAL2
CAAL2O4
CAAL2SI2O8
CAAL2SI6O16
CAAL2SIO6
CAAL4
CAAL4O7
CAALGASI2O8
CAB2F8
CAB2O4
CAB4O7
CABR2*2NH3
CABR2*6NH3
CABR2*6W
CABR2*8NH3
CABR2*NH3
CABR2O6
CABRH
(CAO)2*GEO2
AKERMANITE
CA(NO3)2*CA(OH)2*2.5H2O
CA(NO3)2*CA(OH)2
LARNITE
CALCIUM-PYROVANADATE
(CAO)3*AL2O3
(CAO)3*AL2O3*6H2O
(CAO)3*AL2O3*2SIO2
(CACL2)3*4ALCL3
TRICALCIUM-DIBORATE
CA3BI2
CACL2*2CAO
(CAO)3*GEO2
MERWINITE
(CAO)3*4C2H5OH
CA3(PO4)2-ALPHA
CA3(PO4)2-BETA
(CAO)3*2TIO2
(CAO)3*V2O5
(CAO)4*AL2O3
CABR2*3CAO*16H2O
CACL2*3CAO
CACL2*3CAO*16H2O
CACL2*3CAO*3H2O
CAI2*3CAO*16H2O
(CAO)3*2SIO2*CAF2
CA5(IO6)2
CA8H2(PO4)6*5H2O
CAAL2
CAO*AL2O3
ANORTHITE
CAO*AL2O3*6SIO2
PYROXENE
CAAL4
CAO*2AL2O3
CAALGASI2O8
CA(BF4)2
CALCIUM-DIBORATE
CALCIUM-TETRABORATE
CABR2*2NH3
CABR2*6NH3
CABR2*6H2O
CABR2*8NH3
CABR2*NH3
CA(BRO3)2
CABRH
Databanks 1-183
1-184 Databanks
Alias
Name
CAC2N2
CAC2O4
CAC2O4*W
CAC4H10O2
CAC4H6O4
CAC4H6O4*W
CAC4H6O6
CAC4H6O6*3W
CAC4H6O6*5W
CAC8H22O4
CACL2
CACL2*2NH3
CACL2*2W
CACL2*4NH3
CACL2*4W
CACL2*6W
CACL2*8NH3
CACL2*NH3
CACL2*W
CACL2C6H18O3
CACL2C8H24O4
CACL2O4
CACL2O8
CACL2O8*4W
CACL2O8*6NH3
CACLH
CACO3
CACO3-A
CAFESIO4
CAGEO3
CAH12P2O9N2
CAH18P2O9N4
CAH2
CAH2C2O4
CAH4P2O4
CAH4P2O8
CAH6P2O9
CAH9P2O9N
CAI2*2NH3
CAI2*6NH3
CAI2*8NH3
CAI2*8W
CAI2*NH3
CAI2O6
CAI2O6*6W
CAI2O6*W
CAIH
CA(CN)2
CAC2O4
CAC2O4*H2O
CA(C2H5O)2
CA(CH3CO2)2
CA(CH3CO2)2*H2O
CA(CH2OHCO2)2
CA(CH2OHCO2)2*3H2O
CA(CH2OHCO2)2*5H2O
CA(C2H5O)2*2C2H5OH
CALCIUM-CHLORIDE
CACL2*2NH3
CACL2*2H2O
CACL2*4NH3
CACL2*4H2O
CACL2*6H2O
CACL2*8NH3
CACL2*NH3
CACL2*H2O
CACL2*3C2H5OH
CACL2*4C2H5OH
CA(CLO2)2
CA(CLO4)2
CA(CLO4)2*4H2O
CA(CLO4)2*6NH3
CACLH
CALCIUM-CARBONATE-ARAGONITE
CAFESIO4
CAO*GEO2
CA(H2PO4)2*H2O*2NH3
CA(H2PO4)2*H2O*4NH3
CALCIUM-HYDRIDE
CA(HCOO)2
CA(H2PO2)2
CA(H2PO4)2
CA(H2PO4)2*H2O
CA(H2PO4)2*H2O*NH3
CAI2*2NH3
CAI2*6NH3
CAI2*8NH3
CAI2*8H2O
CAI2*NH3
CA(IO3)2
CA(IO3)2*6H2O
CA(IO3)2*H2O
CAIH
SOLIDS Component
Databank: Cd
Alias
Name
CAMG(CO3)2
CAMG2CL6*2W
CAMOO3
CAN2H4
CAN2O2*4W
CAN2O4
CAN2O4*4W
CAN2O8C2H8
CAN6
CAN6*0.5W
CAN6*1.5W
CAN6*2N2H4
CAN6*4W
CAN6*N2H4
CAO
CAO*FE2O3
CAO4H4
CAOCL2
CAP2O6-B
CAPB2I6
CAPB2I6*7W
CAPB3
CAS2O6*4W
CASEO3*2W-1
CASEO3*2W-2
CASEO4
CASEO4*2W
CASO4
CASO4*0.5W-B
CASO4-A
CASO4-B
2(CASO4)*W
CATIO3
CATL
CAV2O6
DOLOMITE
CACL2*2MGCL2*2H2O
CAMOO3
CA(NH2)2
CAN2O2*4H2O
CA(NO2)2
CA(NO2)2*4H2O
CA(NO3)2*2CH3OH
CA(N3)2
CA(N3)2*0.5H2O
CA(N3)2*1.5H2O
CA(N3)2*2N2H4
CA(N3)2*4H2O
CA(N3)2*N2H4
CALCIUM-OXIDE
CAO*FE2O3
CA(OH)2*H2O2
CA(OCL)CL
CA(PO3)2-BETA
CAI2*2PBI2
CAI2*2PBI2*7H2O
CAPB3
CAS2O6*4H2O-DITHIONATE
CASEO3*2H2O
CASEO3*2H2O-PRECIPITATED
CASEO4
CASEO4*2H2O
CALCIUM-SULFATE
CASO4*0.5H2O-BETA
CASO4-SOLUBLE-ALPHA
CASO4-SOLUBLE-BETA
2(CASO4)*H2O
CAO*TIO2
CATL
CAO*V2O5
Alias
Name
CD
CD2I6PB
CD3C4N4O6H10
CD3N2
CD3P2
CD3P2O8
CD3S2O10H2
CD3SB2
CD3SO8H4
CDAS2
CADMIUM
(CDI2)2*PBI2
(CD(CN)2)2*CDO*5H2O
CADMIUM-NITRIDE
CADMIUM-PHOSPHIDE
CD3(PO4)2
(CDSO4)2*CD(OH)2
CD3SB2
CDSO4*2CD(OH)2
CDAS2
Databanks 1-185
Alias
Name
CDB2O4
CDBR2*4W
CDBR2N12H36
CDBR2N2H6
CDBR2N6H18
CDBR2NH3
CDBR3NH5O0.5
CDBROH
CDC2N2
CDC2N2S2
CDC2O4
CDC2O7H6
CDCL2*2.5W
CDCL2*W
CDCL2N10H30
CDCL2N2H6
CDCL2N4H12
CDCL2N6H18
CDCL2NH3
CDCL2O8*6W
CD(BO2)2
CADMIUM-BROMIDE-TETRAHYDRATE
CDBR2*12NH3
CDBR2*2NH3
CDBR2*6NH3
CDBR2*NH3
CDBR2*NH4BR*0.5H2O
CDBROH
CADMIUM-CYANIDE
CD(CNS)2
CADMIUM-OXALATE
CADMIUM-OXALATE-TRIHYDRATE
CDCL2*2.5H2O
CADMIUM-CHLORIDE-HYDRATE
CDCL2*10NH3
CDCL2*2NH3
CDCL2*4NH3
CDCL2*6NH3
CDCL2*NH3
CADMIUM-PERCHLORATEHEXAHYDRATE
CDCL3NH5O0.5 CDCL2*NH4CL*0.5H2O
CDCL4H2*7W
CDCL2*2HCL*7H2O
CDCL6N4H16
CDCL2*4NH4CL
CDH5S3.5O14
CDSO4*2.5H2SO4
CDI2N2H6
CDI2*2NH3
CDI2N6H18
CDI2*6NH3
CDI2O6
CADMIUM-IODATE
CDI3NH5O0.5
CDI2*NH4I*0.5H2O
CDIOH
CDIOH
CDN2H4
CADMIUM-AMIDE
CDN2O6
CADMIUM-NITRATE
CDN2O6*2W
CADMIUM-NITRATE-DIHYDRATE
CDN2O6*4W
CADMIUM-NITRATE-TETRAHYDRATE
CDN6
CADMIUM-AZIDE
CDO2N2C2
CADMIUM-FULMINATE
CDOHCL
CD(OH)CL
CDSEO4
CADMIUM-SELENATE
CDSEO4*W
CADMIUM-SELENATE-HYDRATE
CDSO4*W
CADMIUM-SULFATE-HYDRATE
SOLIDS Component
Databank: Ce
1-186 Databanks
Alias
Name
CE
CE2C6O12*10W
CE2S3O12*5W
CE2S3O12*8W
CE2SE3O9*10W
CERIUM
CE2(C2O4)3*10H2O
CE2(SO4)3*5H2O
CE2(SO4)3*8H2O
CE2(SEO3)3*10H2O
SOLIDS Component
Databank: Co
Alias
Name
CE3AL
CEAL2
CEAL4
CEAS
CECL3*12NH3
CECL3*20NH3
CECL3*2NH3
CECL3*4NH3
CECL3*7W
CECL3*8NH3
CEF3*W
CEHG4
CEI3O9
CEI3O9*2W
CEN3O9
CEN3O9*3W
CEN3O9*4W
CEN3O9*6W
CEOCL
CES2
CEZN
CE3AL
CEAL2
CEAL4
CEAS
CECL3*12NH3
CECL3*20NH3
CECL3*2NH3
CECL3*4NH3
CECL3*7H2O
CECL3*8NH3
CEF3*H2O
CEHG4
CE(IO3)3
CE(IO3)3*2H2O
CE(NO3)3
CE(NO3)3*3H2O
CE(NO3)3*4H2O
CE(NO3)3*6H2O
CEOCL
CES2
CEZN
Alias
Name
CO2AL5
CO2AS
CO2AS3
CO2C
CO2N11H17O13
CO2N12H18O12
CO2S3
CO2SI
CO2SIO4
CO3AS2
CO3N18H27O18
CO3P2O8
CO3TE4
CO3W
CO4N24H36O24
CO4SO10H6
CO5AS2
CO5N30H45O30
CO5TE6
COAL
COAL2
COAL4
COAS
COAS2
CO2AL5
CO2AS
CO2AS3
CO2C
(CO(NH3)5H2O)(CO(NO2)6)
(CO(NH3)6)(CO(NO2)6)
CO2S3
CO2SI
DICOBALT-SILICATE
CO3AS2
(CO(NH3)5NO2)(CO(NH3)2(NO2)4)2
CO3(PO4)2
CO3TE4
CO3W
(CO(NH3)6)(CO(NH3)2(NO2)4)3
COSO4*3CO(OH)2
CO5AS2
(CO(NH3)5NO2)3(CO(NO2)6)2
CO5TE6
COAL
COAL2
COAL4
COAS
COAS2
Databanks 1-187
1-188 Databanks
Alias
Name
COB2O4
COBALT
COBR2*2N2H4
COBR2*2NH3
COBR2*6W
COBR2*NH3
COBR2C2H8O2
COBR2C4H12O2
COBR2C4H12O4
COBR2C6H18O3
COBR2C6H18O6
COC2N2O2
COC2N2S2
COC2O4
COCL2
COCL2*2N2H4
COCL2*2NH3
COCL2*2W
COCL2*6W
COCL2*NH3
COCL2*W
COCL2C4H12O2
COCL2C6H18O3
COCL2C6H18O6
COCL2O8*6W
COH2C2O4
COHPO4
COI2*2NH3
COI2O6*2W
CON12H9
CON13H12-C
CON13H12-T
CON14H15
CON15H18
CON2H8C2CL2
CON2O6*2W
CON2O6*3W
CON2O6*4W
CON2O6*6W
CON3H12C3CL2
CON4H12CL3
CON4H16C4CL3
CON4H16O2CL3
CON5H10C2O8
CON5H15BR3
CON5H15CL3
CON5H15CLBR2
CO(BO2)2
COBALT
COBR2*2N2H4
COBR2*2NH3-ROSE
COBR2*6H2O
COBR2*NH3
COBR2*2CH3OH
COBR2*2C2H5OH
COBR2*2C2H4(OH)2
COBR2*3C2H5OH
COBR2*3C2H4(OH)2
CO(CNO)2
CO(CNS)2
COBALT-OXALATE
COCL2
COCL2*2N2H4
COCL2*2NH3-ROSE
COCL2*2H2O
COCL2*6H2O
COCL2*NH3
COCL2*H2O
COCL2*2C2H5OH
COCL2*3C2H5OH
COCL2*3C2H4(OH)2
CO(CLO4)2*6H2O
CO(HCO2)2
COHPO4
COI2*2NH3-BLUE
CO(IO3)2*2H2O
(CO(NH3)3(N3)3)
(CO(NH3)4(N3)2)N3-CIS
(CO(NH3)4(N3)2)N3-TRANS
(CO(NH3)5N3)(N3)2
(CO(NH3)6)(N3)3
(CO(C2H4(NH2)2))CL2
CO(NO3)2*2H2O
CO(NO3)2*3H2O
CO(NO3)2*4H2O
CO(NO3)2*6H2O
COCL2*1.5C2H4(NH2)2
(CO(NH3)4CL2)CL-CIS
(CO(C2H4(NH2)2)2CL2)CL
(CO(NH3)4(H2O)2)CL3
NH4(CO(NH3)2(NO2)2C2O4)
(CO(NH3)5BR)BR2
(CO(NH3)5CL)CL2
(CO(NH3)5CL)BR2
Alias
Name
CON5H15CLC2O
CON5H15CLI2
CON5H15I3
CON5H15ICL2
CON5H15SO4I
CON5H16CO2I2
CON5H17OBR3
CON5H17OCL3
CON5H17OF3
CON5H17OI3
CON5H19C4CL3
CON6H11C2O6
CON6H12O4CL
CON6H12O4I-C
CON6H12O4I-T
CON6H12O8S
CON6H15C2O6
CON6H15O2BR2
CON6H15O2CL2
CON6H15O2I2
CON6H15O3CL2
CON6H15O3I2
CON6H15O7S
CON6H17CO7
CON6H18BR2
CON6H18BR3
CON6H18CL2
CON6H18CL3
CON6H18I2
CON6H18I3
CON6H24C6BR2
CON6H24C6CL2
CON6H24C6I2
CON6H24C6I3
CON6H9O6
CON7H10O8
CON7H12O7
CON7H14O10
CON7H15IO6
CON7H16C4O7
CON7H16CO8
CON8H15CSO6
CON8H15O8
CON8H15O9
CON8H17O10
CON9H18O9
CON9H24C6O9
(CO(NH3)5CL)C2O4
(CO(NH3)5CL)I2
(CO(NH3)5I)I2
(CO(NH3)5I)CL2
(CO(NH3)5SO4)I
(CO(NH3)5HCO2)I2
(CO(NH3)5H2O)BR3
(CO(NH3)5H2O)CL3
(CO(NH3)5H2O)F3
(CO(NH3)5H2O)I3
(CO(C2H4(NH2)2)2CL2)CL*NH3
(CO(C2H4(NH2)2)(NH3)(NO2)3
(CO(NH3)4(NO2)2)CL
(CO(NH3)4(NO2)2)I-CIS
(CO(NH3)4(NO2)2)I-TRANS
(CO(NH3)4(NO2)2)SO4-CIS
(CO(NH3)5NO2)C2O4
(CO(NH3)5NO2)BR2
(CO(NH3)5NO2)CL2
(CO(NH3)5NO2)I2
(CO(NH3)5NO3)CL2
(CO(NH3)5NO3)I2
(CO(NH3)5SO4)NO3
(CO(NH3)5CO3)NO3*H2O
(CO(NH3)6)BR2
(CO(NH3)6)BR3
(CO(NH3)6)CL2
(CO(NH3)6)CL3
(CO(NH3)6)I2
(CO(NH3)6)I3
(CO(C2H4(NH2)2)3)BR2
(CO(C2H4(NH2)2)3)CL2
(CO(C2H4(NH2)2)3)I2
(CO(C2H4(NH2)2)3)I3
(CO(NH3)3(NO2)3)
NH4(CO(NH3)2(NO2)4)
(CO(NH3)4(NO2)2)NO3
(CO(NH3)4(NO3)H2O)(NO3)2
(CO(NH3)5I)(NO3)2
(CO(C2H4(NH2)2)2(NO2)2)NO3-CIS
(CO(NH3)5HCO2)(NO3)2
(CO(NH3)5CNS)(NO3)2
(CO(NH3)5NO2)(NO3)2
(CO(NH3)5NO3)(NO3)2
(CO(NH3)5H2O)(NO3)3
(CO(NH3)6)(NO3)3
(CO(C2H4(NH2)2)3)(NO3)3
Databanks 1-189
SOLIDS Component
Databank: Cr
1-190 Databanks
Alias
Name
CONH2COOK
COO2H2-B
COO2H2-P1
COO2H2-P2
COO3H3
COSB
COSE
COSEO3*2W
COSI
COSI2
COSI3
COSO4*6W
COSO4*7W
COTE2
CONH2COOK
CO(OH)2-BLUE,PRECIPITATED
CO(OH)2-PINK,PRECIPITATED
CO(OH)2-PINK,PRECIPITATED,AGED
CO(OH)3-PRECIPITATED
COSB
COSE
COSEO3*2H2O
COSI
COSI2
COSI3
COSO4*6H2O
COSO4*7H2O
COTE2
Alias
Name
CR
CR2H16O20S3
CR2H28O26S3
CR2H30O27S3
CR2H32O28S3
CR2H34O29S3
CR2O3
CR2S3O12*18W
CR2TE3
CR3TE4
CR5TE6
CR7H2
CRCL2*2W
CRCL2*3W
CRCL2*4W
CRCL2N3H9
CRCL2N6H18
CRH11O7
CRH12O6BR3
CRH12O6BR3-G
CRH12O6CL3
CRH12O6CL3-V
CRH13O8
CRH20O10CL3
CRH8O4CL3
CRIBR2
CRICL2
CRN3O18H18
CRO3H3
CRSB
CRSB2
CHROMIUM
(CR2(H2O)6(SO4)3)*2H2O-GREEN
(CR(H2O)6)2(SO4)3*2H2O
(CR(H2O)6)2(SO4)3*3H2O
(CR(H2O)6)2(SO4)3*4H2O
(CR(H2O)6)2(SO4)3*5H2O
ESKOLAITE
CR2(SO4)3*18H2O
CR2TE3
CR3TE4
CR5TE6
CR7H2
CRCL2*2H2O-LIGHT-GREEN
CRCL2*3H2O-PALE-BLUE
CRCL2*4H2O-DARK-BLUE
CRCL2*3NH3
CRCL2*6NH3
(CR(H2O)4(OH)2)OH
(CR(H2O)6)BR3-PURPLE
(CR(H2O)4BR2)BR*2H2O-GREEN
(CR(H2O)4CL2)CL*2H2O-GREEN
(CR(H2O)6)CL3-VIOLET
(CR(H2O)5OH)(OH)2
(CR(H2O)4CL2)CL*6H2O-GREEN
(CR(H2O)4CL2)CL-GREEN
CRIBR2
CRICL2
CR(NO3)3*9H2O
CR(OH)3-PRECIPITATED
CRSB
CRSB2
SOLIDS Component
Databank: Cs
Alias
Name
CS
CS(UO2)2F5
CS12H22C7O31
CS2BAN4O8
CS2C2O4
CS2CO3
CS2CO3*3W
CS2COCL4
CS2CR2O7
CS2CRO4
CS2CUCL4
CS2CUCL4*2W
CS2FECL4
CS2GECL6
CS2HFCL6
CS2I8
CS2MNCL4
CS2MO2O7
CS2MOO4
CS2NACECL6
CS2NADYCL6
CS2NAERCL6
CS2NAGDCL6
CS2NALACL6
CS2NALUCL6
CS2NANDCL6
CS2NAPUCL6
CS2NAYCL6
CS2NBOCL5
CS2NPBR6
CS2NPCL6
CS2PACL6
CS2PTCL4
CS2PUCL6
CS2RECL6
CS2S
CS2S2O5
CS2SEO3*W
CS2SEO4
CS2SNCL6
CS2SO3
CS2TEBR6
CS2TEO3
CS2TEO3*5W
CS2THCL6
CS2THCL6*8W
CS2TIBR6
CESIUM
CS(UO2)2F5
5CS2CO3*2CSHCO3*10H2O
BA(NO2)2*2CSNO2
CS2C2O4
CESIUM-CARBONATE
CS2CO3*3H2O
CS2COCL4
CS2CR2O7
CS2CRO4
CS2CUCL4
CS2CUCL4*2H2O
CS2FECL4
CS2GECL6
CS2HFCL6
CS2I8
CS2MNCL4
CS2MO2O7
CS2MOO4
CS2NACECL6
CS2NADYCL6
CS2NAERCL6
CS2NAGDCL6
CS2NALACL6
CS2NALUCL6
CS2NANDCL6
CS2NAPUCL6
CS2NAYCL6
CS2NBOCL5
CS2NPBR6
CS2NPCL6
CS2PACL6
CS2PTCL4
CS2PUCL6
CS2RECL6
CS2S
CS2S2O5
CS2SEO3*H2O
CS2SEO4
CS2SNCL6
CS2SO3
CS2TEBR6
CS2TEO3
CS2TEO3*5H2O
CS2THCL6
CS2THCL6*8H2O
CS2TIBR6
Databanks 1-191
1-192 Databanks
Alias
Name
CS2TICL4
CS2TICL6
CS2U2O7
CS2UBR6
CS2UCL6
CS2UO4
CS2ZNBR4
CS2ZNCL4
CS2ZNI4
CS2ZRBR6
CS2ZRCL6
CS3COCL5
CS3CR2CL9
CS3CRCL6
CS3CUCL5
CS3FECL5
CS3MNCL5
CS3NICL5
CS3TI2BR9
CS3TIBR6
CS3UO2F5
CS3V2CL9
CS3VCL6
CS4THCL8
CS5U2O4F9
CSALH4
CSALS2O8*12W
CSB(CLO4)4
CSBA2N5O10
CSBCL4
CSBF4
CSBO2
CSBR2CL
CSBR3
CSBRCL2
CSBRO3
CSC10
CSC24
CSC36
CSC48
CSC60
CSC72
CSC8
CSCACL3
CSCL*ZNSO4
CSCLO3
CSCLO4
CS2TICL4
CS2TICL6
CS2U2O7
CS2UBR6
CS2UCL6
CS2UO4
CS2ZNBR4
CS2ZNCL4
CS2ZNI4
CS2ZRBR6
CS2ZRCL6
CS3COCL5
CS3CR2CL9
CS3CRCL6
CS3CUCL5
CS3FECL5
CS3MNCL5
CS3NICL5
CS3TI2BR9
CS3TIBR6
CS3UO2F5
CS3V2CL9
CS3VCL6
CS4THCL8
CS5(UO2)2F9
CSALH4
CSAL(SO4)2*12H2O
CSB(CLO4)4
CSNO2*2BA(NO2)2
CSBCL4
CSBF4
CSBO2
CSBR2CL
CSBR3
CSBRCL2
CSBRO3
CSC10
CSC24
CSC36
CSC48
CSC60
CSC72
CSC8
CSCACL3
CSCL*ZNSO4
CSCLO3
CSCLO4
Alias
Name
CSCN
CSCOCL3
CSCUCL3
CSF*1.5W
CSFECL3
CSGDFEC6N6
CSH
CSH2PO4
CSHC2
CSHCO3
CSHF2
CSHS
CSHSE
CSHSO4
CSI*3SO2
CSI2BR
CSI3
CSI4
CSIBR2
CSIBRCL
CSIBRF
CSICL2
CSICL4
CSIO3
CSIO4
CSKCLI
CSMNCL3
CSMOF6
CSN3
CSNACLI
CSNB2OCL9
CSNBCL6
CSNBO3
CSNH2
CSNICL3
CSNO3
CSOH*W
CSPF6
CSPO3
CSPTNH3CL3
CSREO4
CSSO2F
CSTACL6
CSTIBR3
CSTICL3
CSU2CL9
CSUCL5
CSCN
CSCOCL3
CSCUCL3
CSF*1.5H2O
CSFECL3
CSGD(FE(CN)6)
CSH
CSH2PO4
CSHC2
CSHCO3
CSHF2
CSHS
CSHSE
CSHSO4
CSI*3SO2
CSI2BR
CSI3
CSI4
CSIBR2
CSIBRCL
CSIBRF
CSICL2
CSICL4
CSIO3
CSIO4
CSKCLI
CSMNCL3
CSMOF6
CSN3
CSNACLI
CSNB2OCL9
CSNBCL6
CSNBO3
CSNH2-TETRAGONAL
CSNICL3
CSNO3
CSOH*H2O
CSPF6
CSPO3
CSPTNH3CL3
CSREO4
CSSO2F
CSTACL6
CSTIBR3
CSTICL3
CSU2CL9
CSUCL5
Databanks 1-193
SOLIDS Component
Databank: Cu
1-194 Databanks
Alias
Name
CSUCL6
CSUF6
CSWF6
CSYFEC6N6*2W
CSUCL6
CSUF6
CSWF6
CSY(FE(CN)6)*2H2O
Alias
Name
CU
CU2AL
CU2AL2O4
CU2CD3
CU2CL2*C2H2
CU2CL2*CO*2W
CU2CO5H2
CU2FEC6N6
CU2O
CU2OCL2
CU2S
CU3AL
CU3AL2
CU3C2O8H2
CU3CL3*C2H2
CU3N
CU3P2O8
CU3SB
CU3SN
CU3SO8H4
CU4BR2O12H6
CU4BR2O6H6
CU4CL2O3
CU4CL2O3*4W
CU4CL2O6H6
CU4I2O12H6
CU4N2O12H6
CU4SO10H6
CU4SO10H6*W
CUAL
CUAL2
CUAL2O4
CUBR*1.5NH3
CUBR*2PH3
CUBR*3NH3
CUBR*NH3
CUBR*PH3
CUBR2*10NH3
CUBR2*2NH3
CUBR2*4W
CUBR2*5NH3
COPPER
CU2AL
CU2AL2O4
CU2CD3
(CUCL)2*C2H2
(CUCL)2*CO*2H2O
CUCO3*CU(OH)2
CU2FE(CN)6
DICOPPER-OXIDE
CU2OCL2
DICOPPER-SULFIDE
CU3AL
CU3AL2
(CUCO3)2*CU(OH)2
(CUCL)3*C2H2
CU3N
CU3(PO4)2
CU3SB
CU3SN
CUSO4*2CU(OH)2
CU(BRO3)2*3CU(OH)2
CUBR2*3CU(OH)2
CUCL2*3CUO
CUCL2*3CUO*4H2O
CUCL2*3CU(OH)2
CU(IO3)2*3CU(OH)2
CU(NO3)2*3CU(OH)2
CUSO4*3CU(OH)2
CUSO4*3CU(OH)2*H2O
CUAL
CUAL2
CUAL2O4
CUBR*1.5NH3
CUBR*2PH3
CUBR*3NH3
CUBR*NH3
CUBR*PH3
CUBR2*10NH3
CUBR2*2NH3
CUBR2*4H2O
CUBR2*5NH3
Alias
Name
CUBR2*6NH3
CUC2H2O4
CUC2H2O4*4W
CUC2O4
CUC4H12O4N2
CUC4H12O6N2
CUC4H14N4O4
CUC4H24O4N6
CUC4H24O6N6
CUC4H6O4
CUC4H6O4*W
CUC4H6O6
CUCL*1.5NH3
CUCL*2PH3
CUCL*3NH3
CUCL*NH3
CUCL*PH3
CUCL2*10NH3
CUCL2*2NH3
CUCL2*2W
CUCL2*4NH3W2
CUCL2*5NH3
CUCL2*6NH3
CUCL2C2H8O2
CUCL2C4H12O2
CUCL2O8*6W
CUCL4N2H8
CUCL4N2H8*2W
CUCNS
CUH
CUH14C2O4N4
CUH20C2O4N6
CUH8C2O4N2
CUI*0.5NH3
CUI*2NH3
CUI*2PH3
CUI*3NH3
CUI*NH3
CUI*PH3
CUI2O6*W
CUN2H8C4O4*W
CUN2H8C4O4-A
CUN2H8C4O4-B
CUN2O6
CUN2O6*3W
CUN2O6*6W
CUN3
CUBR2*6NH3
CU(CHO2)2
CU(CHO2)2*4H2O
COPPER-OXALATE
CU(CH3COO)2*2NH3
CU(CH2OHCOO)2*2NH3
CU(CH2NH2COO)2*2NH3
CU(CH3COO)2*6NH3
CU(CH2OHCOO)2*6NH3
CU(CH3COO)2
CU(CH3COO)2*H2O
CU(CH2OHCOO)2
CUCL*1.5NH3
CUCL*2PH3
CUCL*3NH3
CUCL*NH3
CUCL*PH3
CUCL2*10NH3
CUCL2*2NH3
CUCL2*2H2O
CUCL2*4NH3*2H2O
CUCL2*5NH3
CUCL2*6NH3
CUCL2*2CH3OH
CUCL2*2C2H5OH
CU(CLO4)2*6H2O
CUCL2*2NH4CL
CUCL2*2NH4CL*2H2O
CUCNS
CUH
CU(HCOO)2*4NH3
CU(HCOO)2*6NH3
CU(HCOO)2*2NH3
CUI*0.5NH3
CUI*2NH3
CUI*2PH3
CUI*3NH3
CUI*NH3
CUI*PH3
CU(IO3)2*H2O
CU(NH2CH2COO)2*H2O
CU(NH2CH2COO)2-ALPHA
CU(NH2CH2COO)2-BETA
CU(NO3)2
CU(NO3)2*3H2O
CU(NO3)2*6H2O
CUN3
Databanks 1-195
Alias
Name
CUN4H12SO4
CUN4H15SO5.5
CUN4H18C4O4
CUN4H18C4O6
CUN6
CUN6H12O6
CUN6H20C4O4
CUO
CUO*CUSO4
CUONC
CURB2CL4
CURB2CL4*4W
CUS2O10N2H12
CUS2O14N2H20
CUS2O6*5W
CUS2O8N2H8
CUSE2
CUSEO4
CUSEO4*5W
CUSO4
CUSO4*2CH3OH
CUSO4*2NH3
CUSO4*5NH3
CUSO4*NH3
CUWO4
CUWO4*2H2O
(CU(NH3)4)SO4
(CU(NH3)4)SO4*1.5H2O
CU(NH3)4(CH3COO)2
CU(NH3)4(CH2OHCOO)2
CU(N3)2
CU(NH3)4(NO3)2
CU(NH3)4(CH2NH2COO)2
COPPER-MONOXIDE
CUO*CUSO4
CUONC
CUCL2*2RBCL
CUCL2*2RBCL*4H2O
CUSO4*(NH4)2SO4*2H2O
CUSO4*(NH4)2SO4*6H2O
CUS2O6*5H2O
CUSO4*(NH4)2SO4
CUSE2
CUSEO4
CUSEO4*5H2O
COPPER-SULFATE
CUSO4*2CH3OH
CUSO4*2NH3
CUSO4*5NH3
CUSO4*NH3
CUWO4
CUWO4*2H2O
SOLIDS Component
Databank: Dy
Alias
Name
DY2C6O12*10W
DY2O3*CO2
DYAS
DYBR3O9*9W
DYC6H9O6
DYCO5
DYI3O9
DYOCL
DY2(C2O4)3*10H2O
DY2O3*CO2
DYAS
DY(BRO3)3*9H2O
DY(CH3CO2)3
DYCO5
DY(IO3)3
DYOCL
SOLIDS Component
Databank: Er
Alias
Name
ER2C6O12*6W
ERBR3O9*9W
ERH2
ERH3
ERI3O9
EROCL
ER2(C2O4)3*6H2O
ER(BRO3)3*9H2O
ERH2
ERH3
ER(IO3)3
EROCL
1-196 Databanks
SOLIDS Component
Databank: Eu
Alias
Name
EU2S3O12*8W
EUBR3O9*9W
EUC2
EUCL2
EUF3*H2O
EUI3O9
EUN3O9*6W
EUO3H3
EU2(SO4)3*8H2O
EU(BRO3)3*9H2O
EUC2
EUCL2
EUF3*H2O
EU(IO3)3
EU(NO3)3*6H2O
EU(OH)3
SOLIDS Component
Databank: Fe
Alias
Name
FE
FE1.042SE
FE1.111TE
FE2(WO4)3*8W
FE2CDO4
FE2I6PB
FE2MO3O12
FE2O3
FE2OC6N5
FE2P
FE2ZNO4
FE3C
FE3O4
FE3P
FE3SE4
FE3SI
FE5SI3
FE7C18N18
FE7S8
FE7SE8
FE7W6
FEAL
FEAL2
FEAL3
FEASS
FEBR2*2NH3
FEBR2*6NH3
FEBR2*NH3
FEBR3*6NH3
FEBRCL2
FEC2O4*2W
FEC4O4BR2
FEC4O4I2
FEC6N5H5O2
FECD2C6N6*7W
FECL2
FECL2*10NH3
IRON
FE1.042SE
FE1.111TE
FE2(WO4)3*8H2O
CDFE2O4
(FEI2)2*PBI2
FE2(MOO4)3
HEMATITE
FE2CO(CN)5
FE2P
DIIRON-ZINC-TETRAOXIDE
TRIIRON-CARBIDE
MAGNETITE
FE3P
FE3SE4
FE3SI
FE5SI3
FE4(FE(CN)6)3
FE7S8-SULFUR-RICH-PYRRHOTITE
FE7SE8
FE7W6
FEAL
FEAL2
FEAL3
FEASS
FEBR2*2NH3
FEBR2*6NH3
FEBR2*NH3
FEBR3*6NH3
FEBRCL2
FEC2O4*2H2O
FE(CO)4BR2
FE(CO)4I2
H3FECO(CN)5*H2O
CD2FE(CN)6*7H2O
FERROUS-CHLORIDE
FECL2*10NH3
Databanks 1-197
1-198 Databanks
Alias
Name
FECL2*2NH3
FECL2*2W
FECL2*4W
FECL2*6NH3
FECL2*NH3
FECL2O8*6W
FECL3
FECL3*6NH3
FECL3*6W
FECO2O4
FECO3
FECR2O4
FEH4C6N6
FEI2*2NH3
FEI2*6NH3
FEN10H28C6O6
FEN3O9*9W
FEO
FEO2H
FEP
FEP2
FEPB2C6N6*3W
FEPO4*2W
FES
FES2
FES2-2
FESB
FESB2
FESE
FESE2
FESIO3
FESO4*2NH3
FESO4*3NH3
FESO4*4NH3
FESO4*4W
FESO4*6NH3
FESO4*7W
FESO4*NH3
FESO4*W
FETE
FETL4C6N6*2W
FEWO4*3H2O
FEZN2C6N6*2W
FECL2*2NH3
FECL2*2H2O
FECL2*4H2O
FECL2*6NH3
FECL2*NH3
FE(CLO4)2*6H2O
FERRIC-CHLORIDE
FECL3*6NH3
FECL3*6H2O
FECO2O4
IRON-CARBONATE
FECR2O4
H4FE(CN)6
FEI2*2NH3
FEI2*6NH3
(NH4)4FE(CN)6*6H2O
FE(NO3)3*9H2O
FERROUS-OXIDE
FEO(OH)
FEP
FEP2
PB2FE(CN)6*3H2O
FEPO4*2H2O
IRON-MONOSULFIDE
IRON-DISULFIDE-PYRITE
IRON-DISULFIDE-MARCASITE
FESB
FESB2
FESE
FESE2
IRON-METASILICATE
FESO4*2NH3
FESO4*3NH3
FESO4*4NH3
FESO4*4H2O
FESO4*6NH3
FESO4*7H2O
FESO4*NH3
FESO4*H2O
FETE
TL4FE(CN)6*2H2O
FEWO4*3H2O
ZN2FE(CN)6*2H2O
SOLIDS Component
Databank: Ga
Alias
Name
GA2BR6*CH3BR
GA2CL6*CH3CL
GA2CL7C2H5
GA2S3O12
GABR3*14NH3
GABR3*5NH3
GABR3*6NH3
GABR3*7NH3
GABR3*9NH3
GABR3*CH3BR
GABR3*NH3
GACH3I2
GACL3*14NH3
GACL3*3NH3
GACL3*5NH3
GACL3*6NH3
GACL3*7NH3
GACL3*CH3CL
GACL3*NH3
GACL3*PCL3
GACL3*POCL3
GACL3C3H6O
GACL3C4H10O
GACL3C8H20O
GACL4C2H3O
GAF3*3LIF
GAI3*13NH3
GAI3*20NH3
GAI3*5NH3
GAI3*6NH3
GAI3*7NH3
GAI3*9NH3
GAI3*NH3
GAN
GAO3H3
GAPO4
(GABR3)2*CH3BR
(GACL3)2*CH3CL
(GACL3)2*C2H5CL
GALLIUM-SULFATE
GABR3*14NH3
GABR3*5NH3
GABR3*6NH3
GABR3*7NH3
GABR3*9NH3
GABR3*CH3BR
GABR3*NH3
GACH3I2
GACL3*14NH3
GACL3*3NH3
GACL3*5NH3
GACL3*6NH3
GACL3*7NH3
GACL3*CH3CL
GACL3*NH3
GACL3*PCL3
GACL3*POCL3
GACL3*(CH3)2CO
GACL3*(C2H5)2O
GACL3*2(C2H5)2O
GACL3*CH3COCL
GAF3*3LIF
GAI3*13NH3
GAI3*20NH3
GAI3*5NH3
GAI3*6NH3
GAI3*7NH3
GAI3*9NH3
GAI3*NH3
GALLIUM-NITRIDE
GALLIUM-HYDROXIDE
GALLIUM-PHOSPHATE
SOLIDS Component
Databank: Gd
Alias
Name
GD2C6O12*10W
GD2S3O12*8W
GDAL2
GDAS
GDBR3O9*9W
GDC2
GDCL3*6W
GDF3*W
GDH2
GD2(C2O4)3*10H2O
GD2(SO4)3*8H2O
GDAL2
GDAS
GD(BRO3)3*9H2O
GDC2
GDCL3*6H2O
GDF3*H2O
GDH2
Databanks 1-199
SOLIDS Component
Databank: H
1-200 Databanks
Alias
Name
GDI3O9
GDN3O9*6W
GDPO4*W
GD(IO3)3
GD(NO3)3*6H2O
GDPO4*H2O
Alias
Name
H2MOO4
H2MOO4*W
H2O
H2O(S)
H2PTBR6*9W
H2PTCL6*6W
H2RECL4
H2S2O7
H2SEO3
H2SEO4
H2SEO4*W
H2SI2O5
H2SIO3
H3BO3
H3PO2
H3PO3
H3PO4
H3PO4*0.5W
H3PO4*HCLO4
H3PO4*W
H4P2O7
H4P2O7*1.5W
H4SIO4
H6SI2O7
H6TEO6
HAUBR4*5W
HAUCL4*3W
HAUCL4*4W
HBO2-C
HBO2-M
HCLO4*W
HCO2NH4
HCOOK
HCOONA
HCOONA*2W
HCOONA*3W
HIO3
HPO3
HPTCL5*2W
H2MOO4-WHITE
H2MOO4*H2O-YELLOW
WATER
ICE
H2PTBR6*9H2O
H2PTCL6*6H2O
H2RECL4
H2S2O7
SELENIOUS-ACID
SELENIC-ACID
SELENIC-ACID-HYDRATE
DISILICIC-ACID
METASILICIC-ACID
HYPOPHOSPHOROUS-ACID
PHOSPHOROUS-ACID
H3PO4*0.5H2O
H3PO4*HCLO4
ORTHOPHOSPHORIC-ACID-HYDRATE
PYROPHOSPHORIC-ACID
H4P2O7*1.5H2O
H4SIO4
H6SI2O7
H6TEO6
HAUBR4*5H2O
HAUCL4*3H2O
HAUCL4*4H2O
METABORIC-ACID-CUBIC
METABORIC-ACID-MONOCLINIC
PERCHLORIC-ACID-HYDRATE
AMMONIUM-FORMATE
HCOOK
HCOONA
HCOONA*2H2O
HCOONA*3H2O
IODIC-ACID
METAPHOSPHORIC-ACID
HPTCL5*2H2O
SOLIDS Component
Databank: Hg
Alias
Name
HG
MERCURY
HG2BR2N2H4
NHG2BR*NH4BR
HG2BR2O
HGBR2*HGO
HG2BR4N4H12 NHG2BR*3NH4BR
HG2C2N2O
HG(CN)2*HGO
HG2C2N2S2
HG2(CNS)2
HG2C2O4
HG2C2O4
HG2C4H6O4
HG2(CH3COO)2
HG2CL2*2NH3 HG2CL2*2NH3
HG2CL2N2H4
NHG2CL*NH4CL
HG2CL4N4H12 NHG2CL*3NH4CL
HG2CO3
HG2CO3
HG2N2O6*2W
HG2(NO3)2*2H2O
HG2N6
HG2(N3)2
HG2SEO3
HG2SEO3
HG3BR2O2
HGBR2*2HGO
HG3N2O8*W
HG(NO3)2*2HGO*H2O
HG3SO6
HGSO4*2HGO
HG4BR2O3
HGBR2*3HGO
HG4C6N6O
(HG(CN)2)3*HGO
HG4CL2N2*2W (NHG2CL)2*2H2O
HG4CL2N2*W
(NHG2CL)2*H2O
HG4CL2N3H3
(NHG2CL)2*NH3
HG4CL2N4H6
(NHG2CL)2*2NH3
HG4N2O
(HG2N)2O
HG4N2O*4W
(HG2N)2O*4H2O
HG4N2O*W
(HG2N)2O*H2O
HG5BR2O4
HGBR2*4HGO
HG5BR4N2
(NHG2BR)2*HGBR2
HG5CL4N2
(NHG2CL)2*HGCL2
HG5TL2
HG5TL2
HG9BR6N4
(NHG2BR)4*HGBR2
HGBR2*2NH3
HGBR2*2NH3
HGBR2*8NH3
HGBR2*8NH3
HGBR2C2N2H8 HGBR2*C2H4(NH2)2
HGC2H2CL2
HGCLCHCHCL
HGC2H5BR
HGC2H5BR
HGC2H5CL
HGC2H5CL
HGC2H5I
HGC2H5I
HGC2N2
HG(CN)2
HGC2N3H4BR*W HG(CN)2*NH4BR*H2O
HGC2O4
HGC2O4
HGC4H6O4
HG(CH3COO)2
HGCH3BR
HGCH3BR
HGCH3CL
HGCH3CL
HGCH3I
HGCH3I
HGCL2*2:3NH3 HGCL2*2:3NH3
Databanks 1-201
Alias
Name
HGCL2*2NH3
HGCL2*8NH3
HGCL2*9.5NH3
HGCL2C2N2H8
HGCL2CH3OH
HGCL3NO
HGI2*2NH3
HGI2*4:3NH3
HGI2*6NH3
HGI2*C2H8N2
HGINO3
HGN2O6*0.5W
HGO2N2C2
HGCL2*2NH3
HGCL2*8NH3
HGCL2*9.5NH3
HGCL2*C2H4(NH2)2
HGCL2CH3OH
HGCL2*NOCL
HGI2*2NH3
HGI2*4:3NH3
HGI2*6NH3
HGI2*C2H4(NH2)2
HGINO3
HG(NO3)2*0.5H2O
HG(ONC)2
SOLIDS Component
Databank: Ho
Alias
Name
HO2C3
HOAS
HOBR3O9*9W
HOC2
HOI3
HOI3O9
HOOCL
HO2C3
HOAS
HO(BRO3)3*9H2O
HOC2
HOI3
HO(IO3)3
HOOCL
SOLIDS Component
Databank: In
Alias
Name
IN3S4
IN4S5
INBR3*15NH3
INBR3*3NH3
INBR3*5NH3
INBR3*7NH3
INBR3C4H12S
INCL3*15NH3
INCL3*2NH3
INCL3*3NH3
INCL3*5NH3
INCL3*7NH3
INCL3*NH3
INCL3C4H12S
INI3*13NH3
INI3*21NH3
INI3*2NH3
INI3*5NH3
INI3*7NH3
INI3*9NH3
INI3C4H12S
IN3S4
IN4S5
INBR3*15NH3
INBR3*3NH3
INBR3*5NH3
INBR3*7NH3
INBR3*2(CH3)2S
INCL3*15NH3
INCL3*2NH3
INCL3*3NH3
INCL3*5NH3
INCL3*7NH3
INCL3*NH3
INCL3*2(CH3)2S
INI3*13NH3
INI3*21NH3
INI3*2NH3
INI3*5NH3
INI3*7NH3
INI3*9NH3
INI3*2(CH3)2S
1-202 Databanks
SOLIDS Component
Databank: K
Alias
Name
K
K(UO2)2F5
K2AL(NO3)5
K2B3F4O3OH
K2B4O7*4W
K2BA(CO3)2
K2BA(NO2)4
K2BA(NO3)4
K2BA(SO4)2-A
K2BA(SO4)2-F
K2BACL4
K2BECL4
K2BEF4
K2C2O4
K2C2O4*W
K2CA(SO4)2*W
K2CA5S6O24*W
K2CAP2O7
K2CDFEC6N6
K2CDI4*2W
K2CDS2O9.5H3
K2CO3
K2CO3*1.5W
K2CO3*COCO3
K2COC2O6*4W
K2CR2O7
K2CR3O10
K2CRCL4
K2CU(CO3)2
K2CU(HCO3)4
K2CU(SO4)2
K2CU2FEC6N6
K2CUCL3
K2CUCL4
K2CUCL4*2W
K2CUS2O8*.5W
K2CUS2O8*2W
K2CUS2O8*6W
K2GEF6
K2H2P2O7
K2HFCL6
K2HG(CN)4
K2HGBR4
K2HGCL4
K2HGCL4*W
K2HGI4
K2IRCL6
POTASSIUM
K(UO2)2F5
K2AL(NO3)5
K2B3F4O3OH
K2B4O7*4H2O
K2CO3*BACO3-AGED
2KNO2*BA(NO2)2
2KNO3*BA(NO3)2
K2SO4*BASO4-AGED
K2SO4*BASO4-FUSE
K2BACL4-FUSE
K2BECL4
K2BEF4
K2C2O4
K2C2O4*H2O
K2SO4*CASO4*H2O
K2SO4*5CASO4*H2O
K2CAP2O7
K2CDFE(CN)6
K2CDI4*2H2O
K2CD(SO4)2*1.5H2O
POTASSIUM-CARBONATE
K2CO3*1.5H2O
K2CO3*COCO3
K2CO3*COCO3*4H2O
K2CR2O7
K2CR3O10
K2CRCL4
K2CU(CO3)2
K2CU(HCO3)4
K2CU(SO4)2-BLUE
K2CU2FE(CN)6
K2CUCL3
K2CUCL4
K2CUCL4*2H2O
K2CU(SO4)2*0.5H2O
K2CU(SO4)2*2H2O
K2CU(SO4)2*6H2O
K2GEF6
K2H2P2O7
K2HFCL6
K2HG(CN)4
K2HGBR4
K2HGCL4
K2HGCL4*H2O
K2HGI4
K2IRCL6
Databanks 1-203
1-204 Databanks
Alias
Name
K2LACL5
K2LI2(SO4)2
K2LI2B12O20
K2LI2B16O26
K2LI2B8O14
K2LI6B16O28
K2LI6B24O40
K2LI6B32O52
K2MG(SEO4)2
K2MG2(SO4)3
K2MGCL4*2KCL
K2MGCL4-A
K2MGCL4-F
K2MGS2O8
K2MGS2O8*2W
K2MGS2O8*4W
K2MGS2O8*6W
K2MNS2O8
K2MNS2O8*2W
K2MNS2O8*4W
K2MO2O7
K2MO3O10
K2MO4O13
K2MOCL6
K2MOO4
K2NA2B12O20
K2NA2B16O26
K2NA2B8O14
K2NA6B16O28
K2NA6B24O40
K2NA6B32O52
K2NBOBR5
K2NBOCL5
K2O
K2O*3B2O3
K2O*4B2O3
K2O*B2O3
K2OSCL6
K2PB(SO4)2
K2PBI4
K2PBI4*2W
K2PDBR4
K2PDCL4
K2PDCL6
K2PRCL5
K2PT(NO2)4
K2PTBR4
K2LACL5
K2SO4*LI2SO4
K2O*LI2O*6B2O3
K2O*LI2O*8B2O3
K2O*LI2O*4B2O3
K2O*3LI2O*8B2O3
K2O*3LI2O*12B2O3
K2O*3LI2O*16B2O3
K2MG(SEO4)2
K2SO4*2MGSO4
K2MGCL4*2KCL
K2MGCL4-AGED-2-MONTHS
K2MGCL4-FUSED
K2MG(SO4)2-AGED
K2MG(SO4)2*2H2O
K2MG(SO4)2*4H2O
K2MG(SO4)2*6H2O
K2MN(SO4)2
K2MN(SO4)2*2H2O
K2MN(SO4)2*4H2O
K2MO2O7
K2MO3O10
K2MO4O13
K2MOCL6
K2MOO4
K2O*NA2O*6B2O3
K2O*NA2O*8B2O3
K2O*NA2O*4B2O3
K2O*3NA2O*8B2O3
K2O*3NA2O*12B2O3
K2O*3NA2O*16B2O3
K2NBOBR5
K2NBOCL5
POTASSIUM-OXIDE
K2O*3B2O3
K2O*4B2O3
K2O*B2O3
K2OSCL6
K2PB(SO4)2
K2PBI4
K2PBI4*2H2O
K2PDBR4
K2PDCL4
K2PDCL6
K2PRCL5
K2PT(NO2)4
K2PTBR4
Alias
Name
K2PTBR6
K2PTCL4
K2PTCL6
K2PTI6
K2PTN2O4CL2
K2PTN3O6CL
K2PTNO2CL3
K2REBR6
K2RECL6
K2S*2W
K2S*5W
K2S2
K2S2O3
K2S2O3*W
K2S2O5
K2S2O5*0.5W
K2S2O6
K2S2O7
K2S2O8
K2S3
K2S3O6
K2S4
K2S4*0.5W
K2S4*2W
K2S4O6
K2S5
K2S5O6*1.5W
K2S6
K2SE
K2SE*14W
K2SE*19W
K2SE*9W
K2SEO3
K2SEO4
K2SIF6
K2SMCL5
K2SNBR6
K2SNCL6
K2SNCL6*W
K2SNOCL4
K2SO4
K2SR(SO4)2
K2SRCL4
K2TACL6
K2TE2O5
K2TE4O9
K2TE4O9*4W
K2PTBR6
K2PTCL4
K2PTCL6
K2PTI6
K2PT(NO2)2CL2
K2PT(NO2)3CL
K2PT(NO2)CL3
K2REBR6
K2RECL6
K2S*2H2O
K2S*5H2O
K2S2
K2S2O3
K2S2O3*H2O
K2S2O5
K2S2O5*0.5H2O
K2S2O6
K2S2O7
K2S2O8
K2S3
K2S3O6
K2S4
K2S4*0.5H2O
K2S4*2H2O
K2S4O6
K2S5
K2S5O6*1.5H2O
K2S6
K2SE
K2SE*14H2O
K2SE*19H2O
K2SE*9H2O
K2SEO3
K2SEO4
K2SIF6
K2SMCL5
K2SNBR6
K2SNCL6
K2SNCL6*H2O
K2SNOCL4
POTASSIUM-SULFATE
K2SO4*SRSO4-FUSED
K2SRCL4-FUSED
K2TACL6
K2TE2O5
K2TE4O9
K2TE4O9*4H2O
Databanks 1-205
1-206 Databanks
Alias
Name
K2TEBR6
K2TEO3
K2TEO3*3W
K2THCL6
K2TICL6
K2TIO3
K2UCL6
K2UO4
K2WCL7
K2WO4
K2ZN(CN)4
K2ZN(SO4)2
K2ZNS2O8*2W
K2ZNS2O8*6W
K2ZRBR6
K2ZRCL6
K3AG2I5*W
K3AGBR4*0.5W
K3AGI4
K3AGI4*0.5W
K3AL(NO3)6
K3AL2CL9
K3ALF6*3.5W
K3AS
K3BI
K3CE2CL9
K3CECL6
K3CO(C2O4)3
K3CO(CN)6
K3COC6O12*3W
K3CR2CL9
K3CRC6O12
K3CRC6O12*3W
K3CRCL6
K3CRO4F
K3FE(CN)6
K3FEC6N5O
K3IRCL6
K3ND2CL9
K3NDCL6
K3OSCL6
K3PR2CL9
K3PRCL6
K3SB
K3SMCL6
K3TICL6
K3UO2F5
K2TEBR6
K2TEO3
K2TEO3*3H2O
K2THCL6
K2TICL6
K2TIO3
K2UCL6
K2UO4
K2WCL7
K2WO4
K2ZN(CN)4
K2ZN(SO4)2
K2ZN(SO4)2*2H2O
K2ZN(SO4)2*6H2O
K2ZRBR6
K2ZRCL6
K3AG2I5*H2O
K3AGBR4*0.5H2O
K3AGI4
K3AGI4*0.5H2O
K3AL(NO3)6
K3AL2CL9
K3ALF6*3.5H2O
K3AS
K3BI
K3CE2CL9
K3CECL6
K3(CO(C2O4)3)
K3CO(CN)6
K3(CO(C2O4)3)*3H2O
K3CR2CL9
K3CR(C2O4)3
K3CR(C2O4)3*3H2O
K3CRCL6
K3CRO4F
K3FE(CN)6
K3FECO(CN)5
K3IRCL6
K3ND2CL9
K3NDCL6
K3OSCL6
K3PR2CL9
K3PRCL6
K3SB
K3SMCL6
K3TICL6
K3UO2F5
Alias
Name
K3V2CL9
K3VCL6
K4BA(SO4)3
K4CA(NO3)6
K4CDCL6
K4FE(CN)6
K4FEC6N6*3W
K4PB3I10
K4PB3I10*6W
K4SR(SO4)3
K5AS4
K5SB4
K6EU4S9O36
K6EU4S9O36W8
K6NA2B16O28
K6NA2B24O40
K6NA2B32O52
KAG(CN)2
KAGBR2
KAGCL2
KAGI2
KAL(SEO4)2
KAL(SO4)2
KAL(SO4)2*3W
KAL2BR7
KAL2H5P2O11
KALBR4
KALCL4*6NH3
KALH4
KALS2O8*12W
KALSE2O8*12W
KAOLINITE
KAS
KAS2
KB5O8*4W
KBA2(NO2)5
KBCL4
KBF3OH
KBF4
KBH4
KBR
KBR*ALCL3
KBR*ZNSO4
3KBR*2SBBR3
KBRO3
KBRO4
KC10
K3V2CL9
K3VCL6
2K2SO4*BASO4-FUSED
4KNO3*CA(NO3)2
K4CDCL6
K4FE(CN)6
K4FE(CN)6*3H2O
4KI*3PBI2
4KI*3PBI2*6H2O
2K2SO4*SRSO4-FUSED
K5AS4
K5SB4
3K2SO4*2EU2(SO4)3
3K2SO4*2EU2(SO4)3*8H2O
3K2O*NA2O*8B2O3
3K2O*NA2O*12B2O3
3K2O*NA2O*16B2O3
KAG(CN)2
KAGBR2
KAGCL2
KAGI2
KAL(SEO4)2
POTASSIUM-ALUMINIUM-SULFATE
KAL(SO4)2*3H2O
KAL2BR7
KAL2(PO4)2OH*2H2O
KALBR4
KALCL4*6NH3
KALH4
KAL(SO4)2*12H2O
KAL(SEO4)2*12H2O
AL2SI2O7*2H2O
KAS
KAS2
KB5O8*4H2O
KNO2*2BA(NO2)2
KBCL4
KBF3OH
KBF4
KBH4
POTASSIUM-BROMIDE
KBR*ALCL3
KBR*ZNSO4
3KBR*2SBBR3
KBRO3
KBRO4
KC10
Databanks 1-207
Alias
Name
KC24
KC24
KC36
KC36
KC4
KC4
KC48
KC48
KC60
KC60
KC8
KC8
KCACL3
KCACL3
KCAFEC6N6*5W KCAFE(CN)6*5H2O
KCD3BR7*4W
KBR*3CDBR2*4H2O
KCD3CL7*4W
KCL*3CDCL2*4H2O
KCDBR3*W
KCDBR3*H2O
KCDCL3
KCDCL3
KCDCL3*W
KCDCL3*H2O
KCDI3*W
KCDI3*H2O
KCE3CL10
KCE3CL10
KCECL4
KCECL4
KCEFEC6N6*2W KCEFE(CN)6*2H2O
KCL
POTASSIUM-CHLORIDE
KCL*2ALBR3
KCL*2ALBR3
KCL*2PBCL2
KCL*2PBCL2
KCL*ALBR3
KCL*ALBR3
KCL*MGSO4*3W KCL*MGSO4*3H2O
KCL*ZNSO4
KCL*ZNSO4
KCLBRI
KCLBRI
KCLO3
POTASSIUM-CHLORATE
KCNO
KCNO
KCNS
KCNS
KCNS*0.5SO2
KCNS*0.5SO2
KCNS*2SO2
KCNS*2SO2
KCOF3
KCOF3
KCON4C2O8H6 K(CO(NH3)2(NO2)2C2O4)
KCOO8N6H6
K(CO(NH3)2(NO2)4)
KCRCL3
KCRCL3
KCRO3CL
KOCRO2CL
KCRS2O8*1.5W KCR(SO4)2*1.5H2O
KCRS2O8*12W KCR(SO4)2*12H2O
KCRS2O8*6W
KCR(SO4)2*6H2O
KCUCL3
KCUCL3
KCUF3
KCUF3
KERCL4
KERCL4
KEUS2O8
KEU(SO4)2
KEUS2O8*W
KEU(SO4)2*H2O
KF*2HF
KF*2HF
KF*2W
KF*2H2O
KF*3HF
KF*3HF
KF*BRF3
KF*BRF3
KFECL4
KFECL4
1-208 Databanks
Alias
Name
KGDFEC6N6
KH2ASO4
KH3C2O3
KH3C2O3*0.5W
KH3C4O8
KH3C4O8*2W
KHCO3
KHF2
KHG(CN)2BR
KHG(CN)2CL
KHG(CN)2CL*W
KHG(CN)2I
KHGBR3
KHGBR3*W
KHGCL3
KHGCL3*W
KHGI3
KHGI3*W
KHS
KHS*0.25W
KHSE
KHSO4
KI*4SO2
KI*ZNSO4
KI3
KIBR2
KIBR2*W
KIO2F2
KIO3
KIO4
KLA3CL10
KLACL4
KLAFE(CN)6
KLICLI
KMGCL3
KMGCL3*2W
KMGCL3*6W
KMGPO4*6W
KMNCL3
KMNF3
KMNO4
KMOF6
KNABR2
KNACL2
KNACLI
KNAI2
KNAUCL6
KGDFE(CN)6
KH2ASO4
CH2OHCOOK
CH2OHCOOK*0.5H2O
KHC2O4*H2C2O4
KHC2O4*H2C2O4*2H2O
POTASSIUM-BICARBONATE
KHF2
KBR*HG(CN)2
KCL*HG(CN)2
KCL*HG(CN)2*H2O
KI*HG(CN)2
KHGBR3
KHGBR3*H2O
KHGCL3
KHGCL3*H2O
KHGI3
KHGI3*H2O
KHS
KHS*0.25H2O
KHSE
KHSO4
KI*4SO2
KI*ZNSO4
KI3
KIBR2
KIBR2*H2O
KIO2F2
KIO3
KIO4
KLA3CL10
KLACL4
KLAFE(CN)6
KLICLI
KMGCL3
KMGCL3*2H2O
KMGCL3*6H2O
KMGPO4*6H2O
KMNCL3
KMNF3
KMNO4
KMOF6
KNABR2
KNACL2
KNACLI
KNAI2
KNAUCL6
Databanks 1-209
1-210 Databanks
Alias
Name
KNB2OCL9
KNBCL6
KNBO3
KNBOCL4
KNDCL4
KNH2
KNH3
KNH4CRO4
KNICL3
KNIF3
KNO2
KNO2*KOH
KNO3
KNO3*KOH
KOH
KOH*2W
KOH*W
KPBCL3*1:3W
KPF6
KPO3
KPRCL4
KPTNH3CL3
KPTNH3CL5
KREO4
KSB
KSB2
KSO2F
KSO3F
KSR2CL5
KTACL6
LTAO2CL2
KTBS2O8
KTBS2O8*W
KTCO4
KTHCL5*9W
KTICL3
KUCL5
KUCL6
KUF6
KVCL3
KVO3
KVO4
KWCL6
KWF6
KYCL4
KZNF3
KNB2OCL9
KNBCL6
KNBO3
KNBOCL4
KNDCL4
KNH2
KNH3
KNH4CRO4
KNICL3
KNIF3
KNO2
KNO2*KOH
POTASSIUM-NITRATE
KNO3*KOH
POTASSIUM-HYDROXIDE
KOH*2H2O
KOH*H2O
KPBCL3*1:3H2O
KPF6
KPO3
KPRCL4
KPT(NH3)CL3
KPTNH3CL5
KREO4
KSB
KSB2
KSO2F
KSO3F
KSR2CL5
KTACL6
KTAO2CL2
KTB(SO4)2
KTB(SO4)2*H2O
KTCO4
KTHCL5*9H2O
KTICL3
KUCL5
KUCL6
KUF6
KVCL3
KVO3
KVO4
KWCL6
KWF6
KYCL4
KZNF3
SOLIDS Component
Databank: La
Alias
Name
LA2C3N6
LA2C3O9
LA2C6O12*10W
LA2S3O12
LA2S3O12*9W
LA2SE3O9
LAAL2
LAB6
LABI
LABR3O9*9W
LABSALT
LAC2
LACL3*7W
LAF3*W
LAH3C3O6
LAI3O9
LAINTE3
LAN3O9
LAN3O9*3W
LAN3O9*4W
LAN3O9*6W
LASB
LA2(CN2)3
LA2(CO3)3
LA2(C2O4)3*10H2O
LA2(SO4)3
LA2(SO4)3*9H2O
LA2(SEO3)3
LAAL2
LAB6
LABI
LA(BRO3)3*9H2O
NA4CA(SO4)3*2H2O
LAC2
LACL3*7H2O
LAF3*H2O
LA(HCO2)3
LA(IO3)3
LAINTE3
LA(NO3)3
LA(NO3)3*3H2O
LA(NO3)3*4H2O
LA(NO3)3*6H2O
LASB
SOLIDS Component
Databank: Li
Alias
Name
LI
LI.05ZN.9F-A
LI.05ZN.9F-Q
LI0.5FE2.5O4
LI22SN5
LI2AL2SI8O20
LI2B2C4H18O
LI2BECL4
LI2C2
LI2CRO4
LI2CRO4*2W
LI2HFO3
LI2K6B16O28
LI2K6B24O40
LI2K6B32O52
LI2MOO4
LI2NH
LI2O*2BEO
LI2PBI4*4W
LI2PTCL6
LI2S2
LI2SE*9W
LI2SEO3*W
LITHIUM
LI0.05ZN0.9FE2.05O4-ANNEALED
LI0.05ZN0.9FE2.05O4-QUENCHED
LI0.5FE2.5O4
LI22SN5
LI2AL2SI8O20
(LIBH4)2*(C2H5)2O
LI2BECL4
LI2C2
LI2CRO4
LI2CRO4*2H2O
LI2HFO3
LI2O*3K2O*8B2O3
LI2O*3K2O*12B2O3
LI2O*3K2O*16B2O3
LI2MOO4
LI2NH
LI2O*2BEO
LI2PBI4*4H2O
LI2PTCL6
LI2S2
LI2SE*9H2O
LI2SEO3*H2O
Databanks 1-211
1-212 Databanks
Alias
Name
LI2SEO4
LI2SEO4*W
LI2SIF6
LI2SO3
LI2SO4*W
LI2THCL6
LI2UCL6
LI2UO4
LI2WO4
LI3ALH6
LI3BI
LI3PO4
LI3SB
LI3SB2
LI4P2O7
LI4PUF8
LI4ZRO4
LI5I2O12
LI7PB2
LI7SN2
LI8ZRO6
LIAL
LIAL5O8
LIALBR4
LIALCL4
LIALH4
LIALO2
LIBC4H16O2
LIBC6H22N2
LIBF4
LIBH4
LIBH4*2NH3
LIBH4*3NH3
LIBH4*4NH3
LIBH4*C2H6O
LIBH4*C4H8O
LIBH4*C6H14O
LIBH4*NC3H9
LIBH4*NH3
2LIBH4*C2H6O
LIBR*2NH3
LIBR*2W
LIBR*3NH3
LIBR*5NH3
LIBR*NH3
LIBR*W
LIBRO3
LI2SEO4
LI2SEO4*H2O
LI2SIF6
LI2SO3
LI2SO4*H2O
LI2THCL6
LI2UCL6
LI2UO4
LI2WO4
LI3ALH6
LI3BI
LI3PO4
LI3SB
LI3SB2
LI4P2O7
LI4PUF8
LI4ZRO4
LI5(IO6)2
LI7PB2
LI7SN2
LI8ZRO6
LIAL
LIAL5O8
LIALBR4
LIALCL4
LIALH4
LITHIUM-ALUMINATE
LIBH4*2((CH3)2O)
LIBH4*2N(CH3)3
LIBF4
LIBH4
LIBH4*2NH3
LIBH4*3NH3
LIBH4*4NH3
LIBH4*(CH3)2O
LIBH4*(CH2)4O
LIBH4*(CH(CH3)2)2O
LIBH4*N(CH3)3
LIBH4*NH3
(LIBH4)2*(CH3)2O
LIBR*2NH3
LIBR*2H2O
LIBR*3NH3
LIBR*5NH3
LIBR*NH3
LIBR*H2O
LIBRO3
Alias
Name
LICL*2W
LICL*3NH3
LICL*3W
LICL*4NH3
LICL*NH3
LICL*W
LICLO3
LICLO3*0.25W
LICLO4*2N2H4
LICLO4*3W
LICLO4*W
LICSCLI
LIH
LIH2PO4
LIHF2
LIHG
LIHG2
LIHG3
LIHS
LII*2NH3
LII*2SO2
LII*2W
LII*3NH3
LII*3W
LII*4NH3
LII*NH3
LII*SO2
LII*W
LIIO3
LIN3
LINBO3
LINH2
LINO2
LINO2*0.5W
LINO2*W
LINO3
LINO3*3W
LIOC2H5
LIOH
LIOH*W
LIPB
LIPO3
LIREO4
LIREO4*2W
LIREO4*W
LISN
LITHCL5*8W
LICL*2H2O
LICL*3NH3
LICL*3H2O
LICL*4NH3
LICL*NH3
LICL*H2O
LICLO3
LICLO3*0.25H2O
LICLO4*2N2H4
LICLO4*3H2O
LICLO4*H2O
LICSCLI
LITHIUM-HYDRIDE
LIH2PO4
LIHF2
LIHG
LIHG2
LIHG3
LIHS
LII*2NH3
LII*2SO2
LII*2H2O
LII*3NH3
LII*3H2O
LII*4NH3
LII*NH3
LII*SO2
LII*H2O
LIIO3
LIN3
LINBO3
LINH2
LINO2
LINO2*0.5H2O
LINO2*H2O
LITHIUM-NITRATE
LINO3*3H2O
LIOC2H5
LITHIUM-HYDROXIDE
LIOH*H2O
LIPB
LIPO3
LIREO4
LIREO4*2H2O
LIREO4*H2O
LISN
LITHCL5*8H2O
Databanks 1-213
Alias
Name
LITL
LIUO2ASO4
LIUO5
LIWF6
LITL
LIUO2ASO4
LI4UO5
LIWF6
SOLIDS Component
Databank: Lu
Alias
Name
LUAS
LUBR3O9*9W
LUCL3
LUCL3*6W
LUI3
LUI3O9
LUN3O9*5W
LUOCL
LUAS
LU(BRO3)3*9H2O
LUCL3
LUCL3*6H2O
LUI3
LU(IO3)3
LU(NO3)3*5H2O
LUOCL
SOLIDS Component
Databank: Mg
Alias
Name
MG
MG(OH)2
MG17Y3
MG2AL4SI5O18
MG2CU-G
MG2GE
MG2NI
MG2OCL2*16W
MG2OCL2*6W
MG2P2O7-A
MG2PB
MG2SN
MG2TIO4
MG2ZN11
MG3AS2
MG3AS2O8
MG3BI2-B
MG3CD
MG3CE
MG3LA
MG3P2O8
MG3PR
MG3SB2-A
MG4C3O14H8
MG4O10H14CL2
MG4O13H20CL2
MG4O14H22CL2
MG4O18H22S
MG4O6H6CL2
MG5Y2
MG6O18H26CL2
MAGNESIUM
MAGNESIUM-HYDROXIDE
MG17Y3
MG2AL4SI5O18-CORDIERITE
MG2CU-GAMMA
MG2GE
MG2NI
MGO*MGCL2*16H2O
MGO*MGCL2*6H2O
MG2P2O7-ALPHA
2-MAGNESIUM-LEAD
MG2SN
DIMAGNESIUM-TITANIUM-TETRAOXIDE
MG2ZN11
MG3AS2
MG3(ASO4)2
MG3BI2-BETA
MG3CD
MG3CE
MG3LA
MG3(PO4)2
MG3PR
MG3SB2-ALPHA
(MGCO3)3*MG(OH)2*3H2O
(MG(OH)2)3*MGCL2*4H2O
(MG(OH)2)3*MGSO4*8H2O
(MG(OH)2)3*MGCL2
MG5Y2
1-214 Databanks
Alias
Name
MGAS4
MGB12
MGBR2*2NH3
MGBR2*6W
MGBR2*NH3
MGC2O4
MGC2O4*2W
MGC4H6O6
MGC4H6O6*2W
MGCD
MGCD3
MGCE
MGCL2
MGCL2*2NH3
MGCL2*2W
MGCL2*4W
MGCL2*6C2OH6
MGCL2*6COH4
MGCL2*6W
MGCL2*NH3
MGCL2*W
MGCL2O8
MGCL2O8*2W
MGCL2O8*4W
MGCL2O8*6NH3
MGCL2O8*6W
MGCN2
MGCO3
MGCO3*5W
MGCR2O4
MGCRO4
MGCU2-B
MGFE2O4
MGH2C2O4
MGI2*2NH3
MGLA
MGN2O6*2W
MGN2O6*6COH4
MGN2O6*6W
MGNH4ASO4*6
W
MGO
MGO*AL2O3-S
MGO*MGCL2
MGOHCL
MGPR
MGS2O3*3W
MGAS4
MGB12
MGBR2*2NH3
MGBR2*6H2O
MGBR2*NH3
MGC2O4
MGC2O4*2H2O
MG(CH2OHCO2)2
MG(CH2OHCO2)2*2H2O
MGCD
MGCD3
MGCE
MAGNESIUM-CHLORIDE
MGCL2*2NH3
MGCL2*2H2O
MGCL2*4H2O
MGCL2*6C2H5OH
MGCL2*6CH3OH
MGCL2*6H2O
MGCL2*NH3
MGCL2*H2O
MG(CLO4)2
MG(CLO4)2*2H2O
MG(CLO4)2*4H2O
MG(CLO4)2*6NH3
MG(CLO4)2*6H2O
MGCN2
MAGNESIUM-CARBONATE
MGCO3*5H2O
MGCR2O4
MGCRO4
MGCU2-BETA
MGFE2O4
MG(HCO2)2
MGI2*2NH3
MGLA
MG(NO3)2*2H2O
MG(NO3)2*6CH3OH
MG(NO3)2*6H2O
MGNH4ASO4*6H2O
MAGNESIUM-OXIDE
MGO*AL2O3-SPINEL
MGO*MGCL2
MGOHCL
MGPR
MGS2O3*3H2O
Databanks 1-215
SOLIDS Component
Databank: Mn
1-216 Databanks
Alias
Name
MGS2O3*6W
MGSEO3
MGSEO3*6W
MGSEO4
MGSEO4*4W
MGSEO4*6W
MGSEO4*W
MGSO3
MGSO3*3W
MGSO3*6W
MGSO4*2W
MGSO4*4W
MGSO4*6W
MGSO4*7W
MGSO4*W
MGTIO3
MGTL
MGU3O10
MGUO4
MGV2O6
MGWO4
MGY
MGZN
MGZN2
MGS2O3*6H2O
MAGNESIUM-SELENITE
MGSEO3*6H2O
MGSEO4
MGSEO4*4H2O
MGSEO4*6H2O
MGSEO4*H2O
MGSO3
MGSO3*3H2O
MGSO3*6H2O
MGSO4*2H2O
MGSO4*4H2O
MGSO4*6H2O
MGSO4*7H2O
MGSO4*H2O
MAGNESIUM-TITANIUM-TRIOXIDE
MGTL
MGU3O10
MGUO4
MGV2O6
MAGNESIUM-TUNGSTATE
MGY
MGZN
MGZN2
Alias
Name
MN
MANGANESE
MN2C10O10
MN2(CO)10
MN2FEC6N6
MN2FE(CN)6
MN2O11PB4
PB(MNO4)2*3PBO
MN2O3-B
DIMANGANESE-TRIOXIDE-BRAUNITE
MN3O4-H
MANGANESE-OXIDE-HAUSMANNITE
MN3P2O8
MN3(PO4)2
MN8N2
MN8N2
MNBI
MNBI
MNBR2
MANGANESE-DIBROMIDE
MNBR2*2NH3
MNBR2*2NH3
MNBR2*4W
MNBR2*4H2O
MNBR2*6NH3
MNBR2*6NH3
MNBR2*C2H5OH MNBR2*C2H5OH
MNBR2*NH3
MNBR2*NH3
MNBR2*W
MNBR2*H2O
MNC2H2O4
MN(CHO2)2
MNC2H2O4*2W MN(CHO2)2*2H2O
MNC2O4
MANGANESE-OXALATE
MNC2O4*2W
MNC2O4*2H2O
MNC2O4*3W
MNC2O4*3H2O
Alias
Name
MNC4H6O4
MN(CH3CO2)2
MNC4H6O4*4W MN(CH3CO2)2*4H2O
MNCL2
MNCL2*2CH3OH MNCL2*2CH3OH
MNCL2*2W
MNCL2*2H2O
MNCL2*3CH3OH MNCL2*3CH3OH
MNCL2*4W
MNCL2*4H2O
MNCL2*CH3OH MNCL2*CH3OH
MNCL2*W
MNCL2*H2O
MNCL4N2H12O2 MNCL2*2NH4CL*2H2O
MNCO3
MANGANESE-CARBONATE
MNCO3-N
MNCO3-NATURAL
MNCO3-P
MNCO3-PRECIPITATED
MNFE2O4
MNFE2O4
MNHASO4
MNHASO4
MNHPO4
MNHPO4
MNI2*2W
MNI2*2H2O
MNI2*4W
MNI2*4H2O
MNI2O6
MN(IO3)2
MNN2O6
MN(NO3)2
MNN6
MN(N3)2-MANGANESE-AZIDE
MNO-M
MANGENESE-OXIDE-MANGANOSITE
MNO2-P
MANGANESE-DIOXIDE-PYROLUSITE
MNO2H2
MN(OH)2-PRECIPITATED
MNS-P
MNS-PRECIPITATED-PINK
MNS2O14H20N2 (NH4)2MN(SO4)2*6H2O
MNS2O6*2W
MNS2O6*2H2O
MNS2O6*6W
MNS2O6*6H2O
MNSO4*4W
MNSO4*4H2O
MNSO4*5W
MNSO4*5H2O
MNSO4*7W
MNSO4*7H2O
MNSO4*W-A
MNSO4*H2O-ALPHA
MNSO4*W-B
MNSO4*H2O-BETA
MNV2O6
MN(VO3)2
SOLIDS Component
Databank: Mo
Alias
Name
MO
MO2B
MO3GE
MOB
MOBR2
MOBR4
MOCL2
MOCL3
MOCL4
MOCL5
MOO2BR2
MOLYBDENUM
MO2B
MO3GE
MOB
MOBR2
MOBR4
MOCL2
MOCL3
MOCL4
MOCL5
MOO2BR2
Databanks 1-217
SOLIDS Component
Databank: N
Alias
Name
MOO2CL2*W
MOOCL4
MOO2CL2*H2O
MOOCL4
Alias
Name
N2H6*B2H6
N2H6U3O9*4W
N2H7PTCL3
N2H8CD2S3O12
N2H8CR2O7
N2H8CR3O10
N2H8CRO4
N2H8PTCL4
N3H12UO2F5
NH28ALS2O20
NH28CRS2O20
NH2COONA
NH2COONH4
NH3*B3H7
(NH3)2*B2H6
(NH3)2(UO3)3*4H2O
NH4(PT(NH3)CL3)
(NH4)2CD2(SO4)3
(NH4)2CR2O7
(NH4)2CR3O10
(NH4)2CRO4
(NH4)2PTCL4
(NH4)3UO2F5
NH4AL(SO4)2*12H2O
NH4CR(SO4)2*12H2O
NH2COONA
AMMONIUM-CARBAMATE
AMMONIATRIBORANE,TETRAGONALBETA
NH3*BF3
NH3(UO3)2*3H2O
NH3(UO3)3*5H2O
AMMONIUM-ALUMINUM-SULFATE
NH4B5O8*4H2O
NH4BO3*0.5H2O
AMMONIUM-BROMIDE
NH4BR*1.5NH3
NH4BR3
AMMONIUM-CHLORIDE
AMMONIUM-CYANIDE
NH4CNS*SO2
AMMONIUM-FLUORIDE
AMMONIUM-DIHYDROGEN-ARSENATE
NH4H2PO2
AMMONIUM-DIHYDROGEN-PHOSPHATE
AMMONIUM-HYDROGEN-CARBONATE
AMMONIUM-HYDROGEN-FLUORIDE
AMMONIUM-HYDROGEN-SULFIDE
AMMONIUM-HYDROGEN-SELENIDE
AMMONIUM-HYDROGEN-SULFITE
AMMONIUM-BISULFATE
AMMONIUM-HYDROGEN-TELLURIDE
NH4I*2NH3
NH4I*3SO2
NH4I*NH3
NH4I3
NH4IBR2
NH3*BF3
NH3U2O6*3W
NH3U3O9*5W
NH4ALS2O8
NH4B5O8*4W
NH4BO3*0.5W
NH4BR
NH4BR*1.5NH3
NH4BR3
NH4CL
NH4CN
NH4CNS*SO2
NH4F
NH4H2ASO4
NH4H2PO2
NH4H2PO4
NH4HCO3
NH4HF2
NH4HS
NH4HSE
NH4HSO3
NH4HSO4
NH4HTE
NH4I*2NH3
NH4I*3SO2
NH4I*NH3
NH4I3
NH4IBR2
1-218 Databanks
SOLIDS Component
Databank: Na
Alias
Name
NH4IBRCL
NH4ICL2
NH4ICL4
NH4IO3
NH4N3
NH4NO2
NH4NO3
NH4OCN
NH4PF6
NH4REO4
NH4SCN
NH4TACL6
NH4U2O4F5
NH4U2O4F5*3W
NH4U2O4F5*4W
NH4VO3
(NH4)2HASO4
(NH4)2HPO4
(NH4)2S2O8
(NH4)2S4
(NH4)2S5
(NH4)2S8
(NH4)2SEO4
(NH4)2SIF6-C
(NH4)2SIF6-H
(NH4)2SNBR6
(NH4)2SNCL6
(NH4)2SO3
(NH4)2SO3*W
(NH4)2SO4
(NH4)2SO4*3N
(NH4)3ASO4
(NH4)3ASO4*3
(NH4)3PO4
(NH4)3PO4*3W
2NH4NASO4*W
NHG2BR
NOVF6
NH4IBRCL
NH4ICL2
NH4ICL4
AMMONIUM-IODATE
AMMONIUM-AZIDE
AMMONIUM-NITRITE
AMMONIUM-NITRATE
AMMONIUM-CYANATE
NH4PF6
NH4REO4
AMMONIUM-THIOCYANATE
NH4TACL6
NH4(UO2)2F5
NH4(UO2)2F5*3H2O
NH4(UO2)2F5*4H2O
NH4VO3
DIAMMONIUM-HYDROGEN-ARSENATE
DIAMMONIUM-PHOSPHATE
(NH4)2S2O8
(NH4)2S4
(NH4)2S5
(NH4)2S8
AMMONIUM-SELENATE
(NH4)2SIF6-CUBIC
(NH4)2SIF6-HEXAGONAL
(NH4)2SNBR6
(NH4)2SNCL6
AMMONIUM-SULFITE
AMMONIUM-SULFITE-HYDRATE
AMMONIUM-SULFATE
(NH4)2SO4*3NH3
AMMONIUM-ARSENATE
AMMONIUM-ARSENATE-TRIHYDRATE
AMMONIUM-PHOSPHATE
AMMONIUM-PHOSPHATE-TRIHYDRATE
NA2SO4*(NH4)2SO4*H2O
NHG2BR
NOVF6
Alias
Name
NA
NA(UO2)2F5
NA2AG2O3
NA2B4O7*10W
NA2B4O7*4W
NA2B4O7*5W
NA2BA(CO3)2
SODIUM
NA(UO2)2F5
NA2AG2O3
NA2B4O7*10H2O
NA2B4O7*4H2O
NA2B4O7*5H2O
NA2CO3*BACO3
Databanks 1-219
Alias
Name
NA2BA(SO4)2
NA2SO4*BASO4
NA2BECL4
NA2BECL4
NA2C2
SODIUM-CARBIDE
NA2C2H2O3
DISODIUM-HYDROXYACERATE
NA2C2H2O3*2W NAOCH2CO2NA*2H2O
NA2C2O4
NA2C2O4
NA2CA(SO4)2
NA2CA(SO4)2
NA2CACL4
NA2CACL4
NA2CO3
SODIUM-CARBONATE
NA2CO3.10H2O SODIUM-CARBONATE-DECAHYDRATE
NA2CO3.3NAHC WEGSCHEIDER
NA2CO3.7H2O SODIUM-CARBONATE-HEPTAHYDRATE
NA2CO3.H2O
SODIUM-CARBONATE-MONOHYDRATE
NA2CO3.NAHCO TRONA
NA2COO3
NA2COO3
NA2CR2O7
SODIUM-DICHROMATE
NA2CR2O7*2W NA2CR2O7*2H2O
NA2CRO4*10W NA2CRO4*10H2O
NA2CRO4*4NAO NA2CRO4*4NAOH
NA2CRO4*4W
NA2CRO4*4H2O
NA2CUC2O6
NA2CU(CO3)2
NA2CUC2O6*3W NA2CU(CO3)2*3H2O
NA2CUO3
NA2CUO3
NA2H2P2O5
NA2H2P2O5
NA2H2P2O7
NA2H2P2O7
NA2H2P2O7*6W NA2H2P2O7*6H2O
NA2HFCL6
NA2HFCL6
NA2HPO4
DISODIUM-PHOSPHATE
NA2HPO4*12W NA2HPO4*12H2O
NA2HPO4*2W
NA2HPO4*2H2O
NA2HPO4*7W
NA2HPO4*7H2O
NA2HSEO3
NAHSEO3
NA2HSEO4
NAHSEO4
NA2IRCL6
NA2IRCL6
NA2K2(CO3)2
NA2CO3*K2CO3-AGED
NA2K2(SO4)2
NA2SO4*K2SO4-AGED
NA2K4(CO3)3
NA2CO3*2K2CO3-AGED
NA2K4(SO4)3
NA2SO4*2K2SO4-AGED
NA2K6(CO3)4
NA2CO3*3K2CO3-AGED
NA2K6(SO4)4
NA2SO4*3K2SO4-GLASERITE
NA2K8(CO3)5
NA2CO3*4K2CO3-AGED
NA2MG(SO4)2
NA2MG(SO4)2
NA2MGS2O8*2W NA2MG(SO4)2*2H2O
NA2MN(SO4)2
NA2MN(SO4)2
NA2MNO4
NA2MNO4
NA2MNS2O8*2W NA2MN(SO4)2*2H2O
NA2MO2O7
NA2MO2O7
1-220 Databanks
Alias
Name
NA2MOCL6
NA2MOF8
NA2MOO4*2W
NA2MOO6*W
NA2MOO8*2W
NA2MOO8*4W
NA2N2O3
NA2NBF7
NA2O
NA2O*3B2O3
NA2O*4B2O3
3NA2O*NB2O5
NA2OSCL6
NA2PBI4*4W
NA2PBI4*6W
NA2PBO3
NA2PTCL6
NA2PTCL6*2W
NA2PTCL6*6W
NA2S*4.5W
NA2S*5W
NA2S*9W
NA2S2O3
NA2S2O3*5W
NA2S2O4
NA2S2O5
NA2S2O6
NA2S2O6*2W
NA2S2O7
NA2S3O6*3W
NA2S4O6*2W
NA2S5
NA2SE
NA2SE*16W
NA2SE*4.5W
NA2SE*9W
NA2SE2
NA2SEO3
NA2SEO3*5W
NA2SEO4
NA2SEO4*10W
NA2SIF6
NA2SIO3*5W
NA2SIO3*9W
NA2SNO3
NA2SO3*7W
NA2SO4
NA2MOCL6
NA2MOF8
NA2MOO4*2H2O
NA2MOO6*H2O
NA2MOO8*2H2O
NA2MOO8*4H2O
NA2N2O3
NA2NBF7
SODIUM-OXIDE
NA2O*3B2O3
NA2O*4B2O3
3NA2O*NB2O5
NA2OSCL6
(NAI)2PBI2*4H2O
(NAI)2PBI2*6H2O
NA2PBO3
NA2PTCL6
NA2PTCL6*2H2O
NA2PTCL6*6H2O
NA2S*4.5H2O
NA2S*5H2O
NA2S*9H2O
SODIUM-THIOSULFATE
NA2S2O3*5H2O
SODIUM-HYDROSULFITE
NA2S2O5
NA2S2O6
NA2S2O6*2H20
NA2S2O7
NA2S3O6*3H2O
NA2S4O6*2H2O
NA2S5
NA2SE
NA2SE*16H2O
NA2SE*4.5H2O
NA2SE*9H2O
NA2SE2
NA2SEO3
NA2SEO3*5H2O
NA2SEO4
NA2SEO4*10H2O
NA2SIF6
NA2SIO3*5H2O
NA2SIO3*9H2O
NA2SNO3
NA2SO3*7H2O
SODIUM-SULFATE
Databanks 1-221
1-222 Databanks
Alias
Name
NA2SO4*SRSO4
NA2SO4.10H2O
NA2SO4.NAOH
NA2TAF7
NA2TE2
NA2TEO3
NA2TEO3*5W
NA2THCL6
NA2U2O7
NA2U2O7*1.5W
NA2UCL6
NA2UO4-A
NA2UO4-B
NA2V3F11
NA2W2O7
NA2W4O13
NA2WF8
NA2WO4*2W
NA2WO6*W
NA2WO8*2W
NA2ZN(SO4)2
NA2ZNO2
NA2ZNS2O8*2W
NA2ZNS2O8*4W
NA2ZRCL6
NA3ALF6
NA3ALF6*3.5W
NA3ASO4*12W
NA3BI
NA3BIO4
NA3CON6O12
NA3CRCL6
NA3FECO(CN)5
NA3HG
NA3HG2
NA3HP2O7
NA3HP2O7*6W
NA3HP2O7*W
NA3IRCL6
NA3P
NA3PW3O13*4W
NA3RHCL6
NA3RHCL6*12W
NA3SB
NA3SCF6
NA3TICL6
NA3UO2F5
NA2SO4*SRSO4
GLAUBER
DOUBLE
NA2TAF7
NA2TE2
NA2TEO3
NA2TEO3*5H2O
NA2THCL6
NA2U2O7
NA2U2O7*1.5H2O
NA2UCL6
NA2UO4-ALHPA
NA2UO4-BETA
NA2V3F11
NA2W2O7
NA2W4O13
NA2WF8
NA2WO4*2H2O
NA2WO6*H2O
NA2WO8*2H2O
NA2ZN(SO4)2
NA2ZNO2
NA2ZN(SO4)2*2H2O
NA2ZN(SO4)2*4H2O
NA2ZRCL6
CRYOLITE
NA3ALF6*3.5H2O
NA3ASO4*12H2O
NA3BI
NA3BIO4
NA3(CO(NO2)6)
NA3CRCL6
NA3FECO(CN)5
NA3HG
NA3HG2
NA3HP2O7
NA3HP2O7*6H2O
NA3HP2O7*H2O
NA3IRCL6
NA3P
NA3PW3O13*4H2O
NA3RHCL6
NA3RHCL6*12H2O
NA3SB
NA3SCF6
NA3TICL6
NA3UO2F5
Alias
Name
NA3UO4
NA3VCL6
NA3VF6
NA3VO4*.5W-O
NA3VO4*.5W-P
NA3VO4*10W-O
NA3VO4*10W-P
NA3VO4*12W
NA3VO4*2W
NA3VO4*3.5W
NA3VO4*7W
NA3VO4*8W
NA4BA(SO4)3
NA4CA(SO4)3
NA4CEO4
NA4K2(CO3)3
NA4K2(SO4)3
NA4O4UO4
NA4O4UO4*9W
NA4P2O7
NA4P2O7*10W
NA4P4O12
NA4SN
NA4SO4CLOH
NA4SR(SO4)3
NA4UO2(CO3)3
NA4UO5
NA4V2O7*10W
NA4V2O7*12W
NA4V2O7*18W
NA4V2O7*2W
NA5H3(CO3)4
NA5HG2
NA5P3O10*6W
NA5P3O10-1
NA5P3O10-2
NA5PB2
NA5V3F14
NA6K2(CO3)4
NA6U7O24
NA6ZR2SI4O15
NA7HG8
NA8K2(CO3)5
NAALH4
NAALS2O8*12W
NAALS2O8*2W
NAALS2O8*5W
NA3UO4
NA3VCL6
NA3VF6
NA3VO4*0.5H2O-ORTHO
NA3VO4*0.5H2O-PSEUDOSALT
NA3VO4*10H2O-ORTHO
NA3VO4*10H2O-PSEUDOSALT
NA3VO4*12H2O-ORTHO
NA3VO4*2H2O-ORTHO
NA3VO4*3.5H2O-PSEUDOSALT
NA3VO4*7H2O-ORTHO
NA3VO4*8H2O-PSEUDOSALT
2NA2SO4*BASO4
NA4CA(SO4)3
NA4CEO4
2NA2CO3*K2CO3-AGED
2NA2SO4*K2SO4-AGED
NA4O4UO4
NA4O4UO4*9H2O
TETRASODIUM-PYROPHOSPHATE
NA4P2O7*10H2O
NA4P4O12
NA4SN
TRIPLE
2NA2SO4*SRSO4
NA4UO2(CO3)3
NA4UO5
NA4V2O7*10H2O
NA4V2O7*12H2O
NA4V2O7*18H2O
NA4V2O7*2H2O
3NAHCO3*NA2CO3
NA5HG2
NA5P3O10*6H2O
NA5P3O10-FORM-1-QUENCHED
NA5P3O10-FORM-2
NA5PB2
NA5V3F14
3NA2CO3*K2CO3-AGED
NA6U7O24
NA6ZR2SI4O15
NA7HG8
4NA2CO3*K2CO3-AGED
NAALH4
NAAL(SO4)2*12H2O
NAAL(SO4)2*2H2O
NAAL(SO4)2*5H2O
Databanks 1-223
1-224 Databanks
Alias
Name
NAALS2O8*6W
NAAS
NAAS2
NAASO2
NAB(OCH3)4
NAB5O8*5W
NABF4
NABH4
NABH4*2W
NABH4*3NH3
NABH4*4.5NH3
NABO2*2W
NABO2*4W
NABO3*4W
NABR*2W
NABR*5.25NH3
NABR*5.75NH3
NABRF4
NABRO3
NAC2H5O2
NAC3H9O3
NAC4H11O3
NAC4H11O4
NAC4H7O6
NAC6H17O3
NACH3CO2
NACH3CO2*3W
NACL
NACL*5NH3
NACLO2
NACLO2*3W
NACLO3
NACLO4*W
2NACL*BACL2
2NACL*MGCL2
2NACL*SRCL2
NACN*0.5W
NACN*2W
NACN-c
NACN-o
NACNO
NACNS
NACNS*2SO2
NACOO8N4C2H6
NACRO2
NACS2CRCL6
NAF
NAAL(SO4)2*6H2O
NAAS
NAAS2
NAASO2
NAB(OCH3)4
NAB5O8*5H2O
NABF4
NABH4
NABH4*2H2O
NABH4*3NH3
NABH4*4.5NH3
NABO2*2H2O
NABO2*4H2O
NABO3*4H2O
NABR*2H2O
NABR*5.25NH3
NABR*5.75NH3
NABRF4
NABRO3
SODIUM-ETHLYLENE-GLYCOLATE
NAC2H5O2*CH3OH
NAC2H5O2*C2H5OH
NAC2H5O2*(CH2OH)2
CH2OHCOONA*CH2OHCOOH
NAOC2H5*2C2H5OH
NACH3CO2
NACH3CO2*3H2O
SODIUM-CHLORIDE
NACL*5NH3
NACLO2
NACLO2*3H2O
SODIUM-CHLORATE
NACLO4*H2O
2NACL*BACL2
2NACL*MGCL2
2NACL*SRCL2
NACN*0.5H2O
NACN*2H2O
NACN-CUBIC
NACN-ORTHORHOMBIC
NACNO
NACNS
NACNS*2SO2
NA(CO(NH3)2(NO2)2C2O4)
NACRO2
NACS2CRCL6
SODIUM-FLUORIDE
Alias
Name
NAFECL4
NAFEF3
NAFEO2
NAH2F3
NAH2PO2
NAH2PO3
NAH2PO3*2.5W
NAH2PO4
NAH2PO4*2W
NAH2PO4*W
NAH3(SEO3)2
NAH3P2O7
NAHC2
NAHC2O4
NAHC2O4*W
NAHCO3
NAHF2
NAHG
NAHG2
NAHG4
NAHGC2N2I*2W
NAHPO3
NAHPO3*5W
NAHS
NAHS*2W
NAHSE
NAHSO4
NAHSO4*W
2NAHSO3CHO*
W
NAI*2W
NAI*3CH3OH
NAI*4SO2
NAI3
3NAI*8SO2
NAIBR2
NAICL2
NAICL4
NAIO2F2
NAIO3
NAIO3*5W
NAIO3*W
NAIO4
NAIO4*3W
NAK(CNS)2
NAK3(CNS)4
NALIB4O7
NAFECL4
NAFEF3
NAFEO2
NAH2F3
NAH2PO2
NAH2PO3
NAH2PO3*2.5H2O
MONOSODIUM-PHOSPHATE
NAH2PO4*2H2O
NAH2PO4*H2O
NAH3(SEO3)2
NAH3P2O7
SODIUM-ACETYLIDE
NAHC2O4
NAHC2O4*H2O
SODIUM-BICARBONATE
NAHF2
NAHG
NAHG2
NAHG4
NAHG(CN)2I*2H2O
NA2HPO3
NA2HPO3*5H2O
NAHS
NAHS*2H2O
NAHSE
SODIUM-BISULFATE
NAHSO4*H2O
(CHO)2*2NAHSO3*H2O
NAI*2H2O
NAI*3CH3OH
NAI*4SO2
NAI3
3NAI*8SO2
NAIBR2
NAICL2
NAICL4
NAIO2F2
NAIO3
NAIO3*5H2O
NAIO3*H2O
NAIO4
NAIO4*3H2O
NACNS*KCNS
NACNS*3KCNS
0.5NA2O*0.5LI2O*2B2O3
Databanks 1-225
Alias
Name
NALIB6O10
0.5NA2O*0.5LI2O*3B2O3
NALIB8O13
0.5NA2O*0.5LI2O*4B2O3
NALIICL
NALIICL
NAMGF3
NAMGF3
NAMNCL3
NAMNCL3
NAMNO4*3W
NAMNO4*3H2O
NAMNO4*W
NAMNO4*H2O
NAMOF7
NAMOF7
NAN3
NAN3
NANBCL6
NANBCL6
NANBO3
NANBO3
NANBO3*3.5W NANBO3*3.5H2O
NANBOCL4
NANBOCL4
NANH2
SODIUM-AMIDE
NANH3
NANH3
NANH4HPO4*4W NANH4HPO4*4H2O
NANO2*NAOH NANO2*NAOH
NANO3
SODIUM-NITRATE
NANO3*2NAOH NANO3*2NAOH
NANO3*NAOH NANO3*NAOH
NAOC2H5
NAOC2H5
NAOCH3
NAOCH3
NAOH
SODIUM-HYDROXIDE
NAOH*BF3
NAOH*BF3
NAOH*W
NAOH*H2O
(NAPO3)3
(NAPO3)3
NAPB
NAPB
NAPTBR6
NA2PTBR6
NAPTBR6*6W
NA2PTBR6*6H2O
NARB2CRCL6
NARB2CRCL6
NAREO4
NAREO4
NASB
NASB
NASN
NASN
NASO3F
NASO3F
NATACL6
NATACL6
NATEO4
NA2TEO4
NATHCL5*10W NATHCL5*10H2O
NATICL3
NATICL3
NATL
NATL
NAUCL6-A
NAUCL6-ALPHA
NAUCL6-B
NAUCL6-BETA
NAUF6
NAUF6
NAUO3
NAUO3
NAWF6
NAWF6
NAWF7
NAWF7
NAZRF5
NAZRF5
NAZRSI2O7
NA2ZRSI2O7
1-226 Databanks
Alias
Name
NAZRSIO5
NA2ZRSIO5
SOLIDS Component
Databank: Nb
Alias
Name
NB1.136S2
NBB1.875
NBB1.963
NBCO2
NBCO3
NBCR2
NBGE0.15
NBGE0.54
NBGE0.67
NBGE2
NBOBR3
NB1.136S2
NBB1.875
NBB1.963
NBCO2
NBCO3
NBCR2
NBGE0.15
NBGE0.54
NBGE0.67
NBGE2
NBOBR3
SOLIDS Component
Databank: Nd
Alias
Name
ND2C3O9
ND2C6O12*10W
ND2S3O12*8W
ND2SE3O12*5W
NDAL2
NDBR3O9*9W
NDCL2
NDCL3*6W
NDF3*W
NDI3O9
NDN3O9
NDN3O9*3W
NDN3O9*4W
NDN3O9*6W
ND2(CO3)3
ND2(C2O4)3*10H2O
ND2(SO4)3*8H2O
ND2(SEO4)3*5H2O
NDAL2
ND(BRO3)3*9H2O
NDCL2
NDCL3*6H2O
NDF3*H2O
ND(IO3)3
ND(NO3)3
ND(NO3)3*3H2O
ND(NO3)3*4H2O
ND(NO3)3*6H2O
SOLIDS Component
Databank: Ni
Alias
Name
NI
NI2I6PB
NI2I6PB*3W
NI2P2O7
NI2SI
NI2TE3
NI3N
NI4SO10H6
NI4W
NI6S5
NI7S3O20H8
NI7S6
NIAL
NIB2O4
NIBR2*3W
NIBR2*6CH3OH
NICKEL
(NII2)2*PBI2
(NII2)2*PBI2*3H2O
NI2P2O7
NI2SI
NI2TE3
NI3N
NISO4*3NI(OH)2
NI4W
NI6S5
(NISO4)3*4NI(OH)2
NI7S6
NIAL
NI(BO2)2
NIBR2*3H2O
NIBR2*6CH3OH
Databanks 1-227
1-228 Databanks
Alias
Name
NIBR2N2H6
NIBR2NH3
NIC2N2
NIC2N2O2
NIC2N2S2
NIC2O4
NIC4H6O4N4
NICL2
NICL2*2W
NICL2*4W
NICL2*6W
NICL2N2H6
NICL2NH3
NICL2O8*6W
NIF2*4W
NIFE2O4
NIH2C2O4
NII2N2H6
NII2O6
NIN2H8C4O4
NIN2O6
NIN2O6*3W
NIN2O6*6W
NIN6*W
NIN6H12SO4
NIN6H18BR2
NIN6H18CL2
NIN6H18I2
NIN6H24C6CL2
NIN8H18O6
NIO-B
NIO2H2
NIO8H8B2
NIS-P
NIS2O6*6W
NISE
NISEO3*2W
NISEO3*2W-P
NISO4*4W
NISO4*6W
NISO4*7W
NITE
NITE2
NIBR2*2NH3
NIBR2*NH3
NI(CN)2-PRECIPITATED
NI(CNO)2
NI(CNS)2
NICKEL-OXALATE
NI(C2H3O2N2)2
NICKEL-CHLORIDE
NICL2*2H2O
NICL2*4H2O
NICL2*6H2O
NICL2*2NH3
NICL2*NH3
NI(CLO4)2*6H2O
NIF2*4H2O
NIFE2O4
NI(HCO2)2
NII2*2NH3
NI(IO3)2
NI(NH2CH2COO)2
NI(NO3)2
NI(NO3)2*3H2O
NI(NO3)2*6H2O
NI(N3)2*H2O
NI(N2H4)3SO4
NI(NH3)6BR2
NI(NH3)6CL2
NI(NH3)6I2
NI(N2H8C2)3CL2
NI(NH3)6(NO3)2
NICKEL-OXIDE-BUNSENITE
NI(OH)2
NI(OH)2*2H3BO3
NIS-PRECIPITATED
NIS2O6*6H2O
NISE
NISEO3*2H2O
NISEO3*2H2O-PRECIPITATED
NISO4*4H2O
NISO4*6H2O-ALPHA,GREEN
NISO4*7H2O
NITE
NITE2
SOLIDS Component
Databank: P
Alias
Name
P-W
P2H6*B2H6
P2O5
P2S3
P3N5
P4O10
PH3*BCL3
PH4BR
PH4CL
PH4I
POCL3*BCL3
PHOSPHORUS-WHITE
(PH3)2*B2H6
DIPHOSPHORUS-PENTAOXIDE
P2S3
P3N5
PH3*BCL3
PH4BR
PH4CL
PH4I
POCL3*BCL3
SOLIDS Component
Databank: Pa
Alias
Name
PABR4
PABR5
PACL4
PACL5
PAI4
PAOBR2
PABR4
PABR5
PACL4
PACL5
PAI4
PAOBR2
SOLIDS Component
Databank: Pb
Alias
Name
PB
PB(N3)2-M
PB(N3)2-O
PB(NO3)2
PB(OH)2
PB(OH)2-P
PB2CL4*NH4CL
PB2N6O
PB2O2*PBCL2
PB2SIO4
PB2V2O7
PB3AM4I10*6W
PB3ASI9*12W
PB3C2N2O3H2
PB3I6*4NH4I
PB3I6*ASI3
PB3I6*PI3
PB3I6*SBI3
PB3I9P*12W
PB3O2BR2
PB3O3*PBCL2
PB3P2O8
PB3SBI9*12W
PB3V2O8
PB4O3BR2
PB4O6H6CL2
LEAD
PB(N3)2-MONOCLINIC
PB(N3)2-ORTHORHOMBIC
PB(NO3)2
PB(OH)2
PB(OH)2-PPTD
(PBCL2)2*NH4CL
PB(N3)2*PBO
(PBO)2*PBCL2
DILEAD-ORTHOSILICATE
PB2V2O7
(PBI2)3*4NH4I*6H2O
(PBI2)3*ASI3*12H2O
PB(CN)2*2PBO*H2O
(PBI2)3*4NH4I
(PBI2)3*ASI3
(PBI2)3*PI3
(PBI2)3*SBI3
(PBI2)3*PI3*12H2O
(PBO)2*PBBR2
(PBO)3*PBCL2
PB3(PO4)2
(PBI2)3*SBI3*12H2O
PB3(VO4)2
(PBO)3*PBBR2
(PB(OH)2)3*PBCL2
Databanks 1-229
1-230 Databanks
Alias
Name
PBBR2*2NH3
PBBR2*3NH3
PBBR2*5.5NH3
PBBR2*8NH3
PBBR2*NH3
PBBR2O6
PBBRF
PBC2H2O4
PBC2O4
PBC4H6O4
PBC4H6O4*3W
PBCL2
PBCL2*1.5NH3
PBCL2*2NH3
PBCL2*3.25NH
PBCL2*8NH3
PBCL2*NH3
PBCL2*PBCO3
PBCLOH
PBFCL
PBH2PO4
PBHPO3
PBI2*0.5NH3
PBI2*2MGI2
PBI2*2NH3
PBI2*2RBI
PBI2*2RBI*4W
PBI2*2ZNI2
PBI2*5NH3
PBI2*8NH3
PBI2*HI*5W
PBI2*NH3
PBI2*SNI2
PBI2*SNI2*8W
PBI2O6
PBI8CR2
PBI8CR2H6O3
PBN2O6*3NH3
PBN2O6*6NH3
PBN2O6*NH3
PBNA4S6O9
PBO*PBBR2
PBO*PBCL2
PBO*PBCO3
PBR5
PBRE2O8*2W
PBS
PBBR2*2NH3
PBBR2*3NH3
PBBR2*5.5NH3
PBBR2*8NH3
PBBR2*NH3
PB(BRO3)2
PBBRF
PB(HCO2)2
PBC2O4
PB(CH3CO2)2
PB(CH3CO2)2*3H2O
LEAD-DICHLORIDE
PBCL2*1.5NH3
PBCL2*2NH3
PBCL2*3.25NH3
PBCL2*8NH3
PBCL2*NH3
PBCL2*PBCO3
PBCLOH
PBFCL
RBH2PO4
PBHPO3
PBI2*0.5NH3
PBI2*2MGI2
PBI2*2NH3
PBI2*2RBI
PBI2*2RBI*4H2O
PBI2*2ZNI2
PBI2*5NH3
PBI2*8NH3
PBI2*HI*5H2O
PBI2*NH3
PBI2*SNI2
PBI2*SNI2*8H2O
PB(IO3)2
PBI2*2CRI3
PBI2*2CRI3*3H2O
PB(NO3)2*3NH3
PB(NO3)2*6NH3
PB(NO3)2*NH3
PBS2O3*2NA2S2O3
PBO*PBBR2
PBO*PBCL2
DILEAD-OXIDE-CARBONATE
PHOSPHORUS-PENTABROMIDE
PB(REO4)2*2H2O
LEAD-SULFIDE
Alias
Name
PBS2C2N2
PBS2O3
PBS2O6*4W
PBS3O6
PBSO3
PBSO4
PBSO4*2NH3
PBSO4*2PBO
PBSO4*3PBO
PBSO4*4NH3
PBSO4*PBO
PBTEO4
PB(SCN)2
PBS2O3
PBS2O6*4H2O
PBS3O6
PBSO3
LEAD-SULFATE
PBSO4*2NH3
PBSO4*2PBO
PBSO4*3PBO
PBSO4*4NH3
PBSO4*PBO
PBTEO4
SOLIDS Component
Databank: Pd
Alias
Name
PD2H
PD3SB
PDBR2
PDC2N2
PDC2N2S2
PDCL2*2NH3
PDCL2*4NH3
PDI2*2NH3
PDI2*4NH3
PDO2H2
PDO4H4
PDSB
PDSB2
PDTE2
PD2H
PD3SB
PDBR2
PD(CN)2
PD(CNS)2
PDCL2*2NH3
PDCL2*4NH3
PDI2*2NH3
PDI2*4NH3
PD(OH)2-PRECIPITATED
PD(OH)4-PRECIPITATED
PDSB
PDSB2
PDTE2
SOLIDS Component
Databank: Pr
Alias
Name
PR2C3O9
PR2C6O12*10W
PR2SE3O12*5W
PR2SE4O12H2
PR2SE4O17H12
PRAL2
PRAL4
PRAS
PRBI
PRBR3O9*9W
PRC
PRCL3*6W
PRCL3*7W
PRF3*W
PRI3O9
PRN3O9
PRN3O9*6W
PR2(CO3)3
PR2(C2O4)3*10H2O
PR2(SEO4)3*5H2O
PR2(SEO3)3*H2SEO3
PR2(SEO3)3*H2SEO3*5H2O
PRAL2
PRAL4
PRAS
PRBI
PR(BRO3)3*9H2O
PRC
PRCL3*6H2O
PRCL3*7H2O
PRF3*H2O
PR(IO3)3
PR(NO3)3
PR(NO3)3*6H2O
Databanks 1-231
Alias
Name
PRO3H3
PROCL
PRSB
PR(OH)3
PROCL
PRSB
SOLIDS Component
Databank: Pt
Alias
Name
PT
PT3N6H18CL6
PTBR
PTCL
PTCL2*5NH3
PTCL4*5W
PTF6
PTN2H6CL2-C
PTN2H6CL2-T
PTN3H9CL2
PTN3H9CL2O4
PTN4H12CL2
PTN4H12CL2*W
PTN4H12I2
PTN6H12O6
PTO2H2
PTTE
PTTE2
PLATINUM
(PT(NH3)4)(PT(NH3)CL3)2
PTBR
PTCL
PTCL2*5NH3
PTCL4*5H2O
PTF6
PT(NH3)2CL2-CIS
PT(NH3)2CL2-TRANS
(PT(NH3)3CL)CL
(PT(NH3)3CL)CLO4
(PT(NH3)4)CL2
(PT(NH3)4)CL2*H2O
(PT(NH3)4)I2
PT(NH3)4(NO3)2
PT(OH)2
PTTE
PTTE2
SOLIDS Component
Databank: Ra
Alias
Name
RA
RA(IO3)2
RA(NO3)2
RACL2
RACL2*2W
RASO4
RA
RA(IO3)2
RA(NO3)2
RACL2
RACL2*2H2O
RASO4
SOLIDS Component
Databank: Rb
Alias
Name
RB
RB(UO2)2F5
RB2BA(NO2)4
RB2CO3
RB2CO3*1.5W
RB2CO3*3W
RB2CO3*W
RB2COCL4
RB2CRO4
RB2FECL4
RB2GECL6
RB2H2P2O7
RB2IRCL6
RB2NBOCL5
RB2PTCL4
RUBIDIUM
RB(UO2)2F5
2RBNO2*BA(NO2)2
RUBIDIUM-CARBONATE
RB2CO3*1.5H2O
RB2CO3*3H2O
RB2CO3*H2O
RB2COCL4
RB2CRO4
RB2FECL4
RB2GECL6
RB2H2P2O7
RB2IRCL6
RB2NBOCL5
RB2PTCL4
1-232 Databanks
Alias
Name
RB2PTCL6
RB2S
RB2SEO3
RB2SEO4
RB2SIF6
RB2SNBR6
RB2SNCL6
RB2TEBR6
RB2TEO3
RB2TEO3*3W
RB2TEO3*W
RB2THCL6
RB2THCL6*9W
RB2TIBR6
RB2TICL4
RB2TICL6
RB2UBR6
RB2UCL6
RB2ZNBR4
RB2ZNCL4
RB3AGI3
RB3COCL5
RB3CR2CL9
RB3CRCL6
RB3CRO4F
RB3SB
RB3SB7
RB3TI2BR9
RB3TIBR6
RB3UO2F5
RB3V2CL9
RB3VCL6
RB4THCL8
RB4UCL8
RB5(UO2)2F9
RB5SB4
RBAG4I5
RBB(CLO4)4
RBBA2(NO2)5
RBBCL4
RBBF4
RBBO2
RBBR2CL
RBBR3
7RBBR*3SBBR3
RBBRCL2
RBBRO3
RB2PTCL6
RB2S
RB2SEO3
RB2SEO4
RB2SIF6
RB2SNBR6
RB2SNCL6
RB2TEBR6
RB2TEO3
RB2TEO3*3H2O
RB2TEO3*H2O
RB2THCL6
RB2THCL6*9H2O
RB2TIBR6
RB2TICL4
RB2TICL6
RB2UBR6
RB2UCL6
RB2ZNBR4
RB2ZNCL4
RB2AGI3
RB3COCL5
RB3CR2CL9
RB3CRCL6
RB3CRO4F
RB3SB
RB3SB7
RB3TI2BR9
RB3TIBR6
RB3UO2F5
RB3V2CL9
RB3VCL6
RB4THCL8
RB4UCL8
RB5(UO2)2F9
RB5SB4
RBAG4I5
RBB(CLO4)4
RBNO2*2BA(NO2)2
RBBCL4
RBBF4
RBBO2
RBBR2CL
RBBR3
7RBBR*3SBBR3
RBBRCL2
RBBRO3
Databanks 1-233
1-234 Databanks
Alias
Name
RBC10
RBC24
RBC36
RBC48
RBC4H11O2
RBC60
RBC72
RBC8
RBCACL3
RBCEFEC6N6W2
RBCL*ZNSO4
RBCLO3
RBCLO4
RBCN
RBCOCL3
RBF*1.5W
RBFECL3
RBGDFEC6N6
RBH
RBHCO3
RBHF2
RBHS
RBHSE
RBHSO4
RBI*3SO2
RBI3
RBIBR2
RBIBRCL
RBICL2
RBICL4
RBIO3
RBKCL2
RBMNCL3
RBMOF6
RBN3
RBNBCL6
RBNBO3
RBNH2
RBNICL3
RBNO2
RBNO3
RBOH
RBOH*2W
RBOH*W
RBPF6
RBPO3
RBPTNH3CL3
RBC10
RBC24
RBC36
RBC48
C2H5ORB*C2H5OH
RBC60
RBC72
RBC8
RBCACL3
RBCE(FE(CN)6)*2H2O
RBCL*ZNSO4
RBCLO3
RBCLO4
RBCN
RBCOCL3
RBF*1.5H2O
RBFECL3
RBGD(FE(CN)6)
RBH
RBHCO3
RBHF2
RBHS
RBHSE
RBHSO4
RBI*3SO2
RBI3
RBIBR2
RBIBRCL
RBICL2
RBICL4
RBIO3
RBKCL2
RBMNCL3
RBMOF6
RBN3
RBNBCL6
RBNBO3
RBNH2
RBNICL3
RBNO2
RBNO3
RBOH
RBOH*2H2O
RBOH*H2O
RBPF6
RBPO3
RBPTNH3CL3
Alias
Name
RBREO4
RBSB
RBSB2
RBSO2F
RBTACL6
RBTICL3
RBUCL5
RBUCL6
RBUF6
RBWF6
RBREO4
RBSB
RBSB2
RBSO2F
RBTACL6
RBTICL3
RBUCL5
RBUCL6
RBUF6
RBWF6
SOLIDS Component
Databank: Sb
Alias
Name
SB(OH)3
SB4O5CL2
SBCL3*3RBCL
SBF3*2NH3
SBF3*3NH3
SBF3*4NH3
SBF3*6NH3
SBF3*NH3
SBOCL
ANTIMONY-TRIHYDROXIDE
SB4O5CL2
SBCL3*3RBCL
SBF3*2NH3
SBF3*3NH3
SBF3*4NH3
SBF3*6NH3
SBF3*NH3
ANTIMONY-CHLORIDE-OXIDE
SOLIDS Component
Databank: Sc
Alias
Name
SC2C6O12
SC2O5H5CL
SC2S3O12
SC2SE3O9*10W
SCAS
SCCL3*6W
SCH1.97
SCH2
SCH3C3O6
SCO2H2CL
SCO3H3
SC2(C2O4)3
SC2(OH)5CL
SC2(SO4)3
SC2(SEO3)3*10H2O
SCAS
SCCL3*6H2O
SCH1.97
SCH2
SC(HCO2)3
SC(OH)2CL
SC(OH)3
SOLIDS Component
Databank: Si
Alias
Name
SI
SIC-A
SIC-B
SIF4*2NC3H9
SIF4*2NH3
SIF4*NC3H9
SIO2
SISE2
SILICON
SILICON-CARBIDE-HEXAGONAL-ALPHA
SILICON-CARBIDE-CUBIC-BETA
SIF4*2N(CH3)3
SIF4*2NH3
SIF4*N(CH3)3
SILICON-DIOXIDE
SILICON-DISELENIDE
SOLIDS Component
Databank: Sm
Alias
Name
SM2C3O9
SM2(CO3)3
SM2C6O12*10W SM2(C2O4)3*10H2O
Databanks 1-235
Alias
Name
SM2S3O12
SM2S3O12*8W
SM2S3O9
SM2SE3O12*8W
SMAS
SMBR3O9*9W
SMC2
SMCL3*6W
SMF3
SMF3*W
SMI3
SMI3O9
SMN3O9
SMN3O9*6W
SMOCL
SM2(SO4)3
SM2(SO4)3*8H2O
SM2(SO3)3
SM2(SEO4)3*8H2O
SMAS
SM(BRO3)3*9H2O
SAMARIUM-DICARBIDE
SMCL3*6H2O
SMF3
SMF3*H2O
SMI3
SM(IO3)3
SM(NO3)3
SM(NO3)3*6H2O
SMOCL
SOLIDS Component
Databank: Sn
Alias
Name
SN(OH)2-P
SN(OH)4-P
SNBR2
SNBR2*2NH3
SNBR2*3NH3
SNBR2*5NH3
SNBR2*9NH3
SNBR2*NH3
SNBR4*8W
SNC2H6CL2
SNCL2*2.5NH3
SNCL2*2W
SNCL2*4NH3
SNCL2*9NH3
SNCL4*1.5PH3
SNI2*2NH3
SNI2*3NH3
SNI2*5NH3
SNI2*9NH3
SNI2*NH3
SNOHCL*W
SN(OH)2-PPTD
SN(OH)4-PPTD
TIN-DIBROMIDE
SNBR2*2NH3
SNBR2*3NH3
SNBR2*5NH3
SNBR2*9NH3
SNBR2*NH3
SNBR4*8H2O
SN(CH3)2CL2
SNCL2*2.5NH3
SNCL2*2H2O
SNCL2*4NH3
SNCL2*9NH3
SNCL4*1.5PH3
SNI2*2NH3
SNI2*3NH3
SNI2*5NH3
SNI2*9NH3
SNI2*NH3
SNOHCL*H2O
SOLIDS Component
Databank: Sr
Alias
Name
SR2AL2SIO7
SR2BI
SR2GE
SR2O2*FE2O3
SR2PB
SR2SB
SR2SIO4
(SRO)2*AL2O3*SIO2
SR2BI
SR2GE
(SRO)2*FE2O3
SR2PB
SR2SB
STRONTIUM-ORTHOSILICATE
1-236 Databanks
Alias
Name
SR2SN
SR2U3O11
SR2UO5
SR3AL4CL18
SR3AS2
SR3BI2
SR3O3*AL2O3
SR3O3*FE2O3
SR3P2
SR3P2O8
SR3SB2
SR3UO6
SR4AL2O7-A
SR4AL2O7-B
SR7FE10O22
SRB2F8
SRBI
SRBR2
SRBR2*2NH3
SRBR2*6W
SRBR2*8NH3
SRBR2*NH3
SRBR2*SRO*3W
SRBR2*SRO*9W
SRBR2*W
SRBR2CO0.5H3
SRBR2O6*W
SRBRH
SRC2N2*4W
SRC2O4
SRC4H6O4
SRC4H6O4.5H
SRC4H6O6
SRCL2*2W
SRCL2*6W
SRCL2*SRO*9W
SRCL2*W
SRCL2-A
SRCL2N8H24
SRCL2NH3
SRCL2O8
SRCL2O8*2W
SRCL2O8*4W
SRCL2O8N2H6
SRCL2O8N6H18
SRCL2O8N7H21
SRCLH
SR2SN
SR2U3O11
SR2UO5
(SRCL2)3*4ALCL3
SR3AS2
SR3BI2
(SRO)3*AL2O3
(SRO)3*FE2O3
SR3P2
SR3(PO4)2
SR3SB2
SR3UO6
(SRO)4*AL2O3-ALPHA
(SRO)4*AL2O3-BETA
(SRO)7*5FE2O3
SR(BF4)2
SRBI
STRONTIUM-BROMIDE
SRBR2*2NH3
SRBR2*6H2O
SRBR2*8NH3
SRBR2*NH3
SRBR2*SRO*3H2O
SRBR2*SRO*9H2O
SRBR2*H2O
SRBR2*0.5C2H5OH
SR(BRO3)2*H2O
SRBRH
SR(CN)2*4H2O
SRC2O4
SR(CH3CO2)2
SR(CH3CO2)2*0.5H2O
SR(CH2OHCO2)2
SRCL2*2H2O
SRCL2*6H2O
SRCL2*SRO*9H2O
SRCL2*H2O
SRCL2-ALPHA
SRCL2*8NH3
SRCL2*NH3
SR(CLO4)2
SR(CLO4)2*2H2O
SR(CLO4)2*4H2O
SR(CLO4)2*2NH3
SR(CLO4)2*6NH3
SR(CLO4)2*7NH3
SRCLH
Databanks 1-237
1-238 Databanks
Alias
Name
SRCN2
SRCO3
SRF2
SRFCL
SRH2C2O4
SRH2C2O4*2W
SRH4P2O8
SRHFO3
SRHPO4
SRI2*2NH3
SRI2*2PBI2
SRI2*2W
SRI2*6NH3
SRI2*6W
SRI2*8NH3
SRI2*NH3
SRI2*W
SRI2O6
SRI2O6*6W
SRI2O6*W
SRI6PB2*7W
SRIH
SRMG2-B
SRMOO3
SRN2H4
SRN2H8S2O8
SRN2O2*5W
SRN2O4
SRN2O4*W
SRN2O6
SRN2O6*4W
SRN6
SRN6H18
SRO*AL2O3
SRO2H2*8W
SRO2H2*W
SRS
SRS2I2O4
SRS2O6*4W
SRS4I2O8
SRSB
SRSE
SRSEO3
SRSEO4
SRSO3
SRUO4-A
SRUO4-B
SRCN2
STRONTIUM-CARBONATE
STRONTIUM-FLUORIDE
SRFCL
SR(HCO2)2
SR(HCO2)2*2H2O
SR(H2PO4)2
SRHFO3
SRHPO4
SRI2*2NH3
SRI2*2PBI2
SRI2*2H2O
SRI2*6NH3
SRI2*6H2O
SRI2*8NH3
SRI2*NH3
SRI2*H2O
SR(IO3)2
SR(IO3)2*6H2O
SR(IO3)2*H2O
SRI2*2PBI2*7H2O
SRIH
SRMG2-BETA
SRMOO3
SR(NH2)2
SR(NH4)2(SO4)2
SRN2O2*5H2O
SR(NO2)2
SR(NO2)2*H2O
SR(NO3)2
SR(NO3)2*4H2O
SR(N3)2
SR(NH3)6
SRO*AL2O3
SR(OH)2*8H2O
SR(OH)2*H2O
STRONTIUM-SULFIDE
SRI2*2SO2
SRS2O6*4H2O
SRI2*4SO2
SRSB
SRSE
SRSEO3
SRSEO4
SRSO3
SRUO4-ALPHA,RHOMBOHEDRAL
SRUO4-BETA,ORTHORHOMBIC
SOLIDS Component
Databank: Tb
Alias
Name
TB2C3O9
TB2C6O12*10W
TBAS
TBBR3O9*9W
TBCL3*6W
TBI3O9
TBOCL
TB2(CO3)3
TB2(C2O4)3*10H2O
TBAS
TB(BRO3)3*9H2O
TBCL3*6H2O
TB(IO3)3
TBOCL
SOLIDS Component
Databank: Th
Alias
Name
TH2CO17
TH2CO7
TH2FE17
TH2FE7
TH2N2O
TH2NI17
TH3GE
TH3GE2
TH3GE5
TH3S7
TH3SI2
TH3SI5
TH7CO3
TH7FE3
TH7S12
THBR4*10W
THBR4*12W
THBR4*7W
THC
THC4O8*6W
THCL4*12NH3
THCL4*18NH3
THCL4*2W
THCL4*4NH3
THCL4*4W
THCL4*6NH3
THCL4*7NH3
THCL4*7W
THCL4*8W
THCL4*NH4CL
THCO
THCO5
THF4*2.5W
THFE3
THFE5
THGE
THGE2
THGE3
TH2CO17
TH2CO7
TH2FE17
TH2FE7
DITHORIUM-DINITRIDE-MONOXIDE
TH2NI17
TH3GE
TH3GE2
TH3GE5
TH3S7
TH3SI2
TH3SI5
TH7CO3
TH7FE3
TH7S12
THBR4*10H2O
THBR4*12H2O
THBR4*7H2O
THC
TH(C2O4)2*6H2O
THCL4*12NH3
THCL4*18NH3
THCL4*2H2O
THCL4*4NH3
THCL4*4H2O
THCL4*6NH3
THCL4*7NH3
THCL4*7H2O
THCL4*8H2O
THCL4*NH4CL
THCO
THCO5
THF4*2.5H2O
THFE3
THFE5
THGE
THGE2
THGE3
Databanks 1-239
Alias
Name
THH3.75
THIN3
THN4O12
THN4O12*4W
THN4O12*5W
THNI2
THNI5
THOF2
THOHI3*10W
THOI2*3.5W
THPB3
THSI
THSI2
THSN3
THTL3
THH3.75
THIN3
TH(NO3)4
TH(NO3)4*4H2O
TH(NO3)4*5H2O
THNI2
THNI5
THORIUM-DIFLUORIDE-OXIDE
TH(OH)I3*10H2O
THOI2*3.5H2O
THPB3
THSI
THSI2
THSN3
THTL3
SOLIDS Component
Databank: Ti
Alias
Name
TI
TI3AL
TI5SI3-E
TIAL
TIAL3
TIAS
TIBR4*2CH3CN
TIBR4*2H2S
TIBR4*2PH3
TIBR4*H2S
TIBR4*PH3
TICL4*2CH3CN
TICL4*2H2S
TICL4*2PH3
TICL4*2POCL3
TICL4*H2S
TICL4*PH3
TICL4*POCL3
TIF4*CH3CN
TIO2
TIP
TISB
TISI-G
TISI2-B
TITANIUM
TI3AL
TI5SI3-EPSILON
TIAL
TIAL3
TIAS
TIBR4*2CH3CN
TIBR4*2H2S
TIBR4*2PH3
TIBR4*H2S
TIBR4*PH3
TICL4*2CH3CN
TICL4*2H2S
TICL4*2PH3
TICL4*2POCL3
TICL4*H2S
TICL4*PH3
TICL4*POCL3
TIF4*CH3CN
TIP
TISB
TISI-GAMMA
TISI2-BETA
SOLIDS Component
Databank: Tl
Alias
Name
TL2CO3
TL2CRO4
TL2S
TL2SE
TL2CO3
TL2CRO4
THALLIUM-SULFIDE
DITHALLIUM-SELENIDE
1-240 Databanks
SOLIDS Component
Databank: U
Alias
Name
TL2SE3O9
TL2SEO4
TL2SO4
TL2TE
TL2TICL6
TL4V2O7
TLBR*3NH3
TLBR3*4W
TLBRO3
TLCH3CO2
TLCL*3NH3
TLCL2BR*4W
TLCL3*3NH3
TLCL3*4W
TLCLBR2*4W
TLHF2
TLI*3NH3
TLIO3
TLN3
TLNO3
TLO3H3
TLOCH3
TLOH
TLONC
TLSCN
TLVO3
TL2(SEO3)3
TL2SEO4
THALLIUM-SULFATE
THALLIUM-TELLURIDE
TL2TICL6
TL4V2O7
TLBR*3NH3
TLBR3*4H2O
TLBRO3
TLCH3CO2
TLCL*3NH3
TLCL2BR*4H2O
TLCL3*3NH3
TLCL3*4H2O
TLCLBR2*4H2O
TLHF2
TLI*3NH3
TLIO3
TLN3
THALLIUM-NITRATE
TL(OH)3
TLOCH3
THALLIUM-HYDROXIDE
THALLOUS-FULMINATE
TLCNS
TLVO3
Alias
Name
U(OH)2SO4
U2O4CL3
U3AS4
U3BI4
U3O7-A
U3O7-B
U3O8-A
U3P4
U3SB4
U3SI
U3SI2
U4O9
UAL2
UAL3
UAL4
UAS
UAS2
UB1.98
UBI
U(OH)2SO4
(UO2)2CL3
U3AS4
U3BI4
U3O7-ALPHA,TETRAGONAL
U3O7-BETA,TETRAGONAL
U3O8-ALPHA,ORTHORHOMBIC
U3P4
U3SB4
U3SI
U3SI2
TETRAURANIUM-NONAOXIDE
UAL2
UAL3
UAL4
UAS
UAS2
UB1.98
UBI
Databanks 1-241
1-242 Databanks
Alias
Name
UBI2
UCL2BR
UCL2BR2
UCL3BR
UCLBR2
UCLBR3
UF2CL2
UF3CL
UF4*2.5W-O
UF4-M
UFCL3
UFE2
UGA
UGA2
UGA3
UIN3
UN0.997
UN1.466-B
UN1.5
UN1.51-A
UN1.59-A
UN1.606-A
UN1.674-A
UN1.73-A
UO2.86*0.5W
UO2.86*1.5W
UO2BR2*3W
UO2BR2*W
UO2C2O4
UO2C2O4*3W
UO2C2O4*W
UO2CL2*3W
UO2CL2*W
UO2CO3
UO2F2*3W
UO2H2C2O4
UO2H2C2O4*W
UO2KASO
UO2KPO4
UO2OHCL*2W
UO2OHF*2W
UO2OHF*W
UO2SEO3
UO2SEO4-A
UO2SO3
UO2SO3*4.5W
UO2SO4*2.5W
UBI2
UCL2BR
UCL2BR2
UCL3BR
UCLBR2
UCLBR3
UF2CL2
UF3CL
UF4*2.5H2O-ORTHORHOMBIC
UF4-MONOCLINIC
UFCL3
UFE2
UGA
UGA2
UGA3
UIN3
UN0.997
UN1.466-BETA,SESQUINITRIDE
UN1.5
UN1.51-ALPHA,SESQUINITRIDE
UO2.86*0.5H2O
UO2.86*1.5H2O
UO2BR2*3H2O
UO2BR2*H2O
UO2C2O4
UO2C2O4*3H2O
UO2C2O4*H2O
UO2CL2*3H2O
UO2CL2*H2O
UO2CO3
UO2F2*3H2O
UO2(HCO2)2
UO2(HCO2)2*H2O
UO2KASO4
UO2KPO4
UO2(OH)CL*2H2O
UO2(OH)F*2H2O
UO2(OH)F*H2O
UO2SEO3
UO2SEO4-ALPHA
UO2SO3
UO2SO3*4.5H2O
UO2SO4*2.5H2O
SOLIDS Component
Databank: V
Alias
Name
UO2SO4*3.5W
UO2SO4*3W
UO2SO4*W
UO2SO4-B
UO2TEO3
UO3HBR*2W
UO4*2W
UO4*4W
UO6C4H6
UO6C4H6*2W
UO6CR*5.5W
UO8N2*2W
UO8N2*3W
UO8N2*6W
UO8N2*W
UOF2
UOF2*W
UOFOH
UOFOH*0.5W
UP
UP2
UPB3
US1.5
US1.9-A
US2-B
US2O8*4W
US2O8*8W
US3
USB
USB2
USE1.33
USE1.5
USE2-A
USI
USI2
USI3
USN3
USO6.2.5H2O
USO6.3.5H2O
UTE
UTE1.33
UTE3
UTL3
UO2SO4*3.5H2O
UO2SO4*3H2O
UO2SO4*H2O
UO2SO4-BETA
UO2TEO3
UO2(OH)BR*2H2O
UO4*2H2O
UO4*4H2O
UO2(CH3CO2)2
UO2(CH3CO2)2*2H2O
UO2CRO4*5.5H2O
UO2(NO3)2*2H2O
UO2(NO3)2*3H2O
UO2(NO3)2*6H2O
UO2(NO3)2*H2O
UOF2
UOF2*H2O
UOF(OH)
UOF(OH)*0.5H2O
UP
UP2
UPB3
US1.5
US1.9-ALPHA,HYPOSTOICHIOMETRIC
US2-BETA
U(SO4)2*4H2O
U(SO4)2*8H2O
US3
USB
USB2
USE1.33
USE1.5
USE2-ALPHA
USI
USI2
USI3
USN3
USO6.2.5H2O
USO6.3.5H2O
UTE
UTE1.33
UTE3
UTL3
Alias
Name
V2SI
V3O11P2
V2SI
(VO)3(PO4)2
Databanks 1-243
Alias
Name
V3SI
V5AL8
V5SI3
VAL3
VO2CL
VOCL
VOCL2
VOSO4
VSI2
V3SI
V5AL8
V5SI3
VAL3
VO2CL
VOCL
VOCL2
VOSO4
VSI2
SOLIDS Component
Databank: W
Alias
Name
W
WO2
WO2BR2
WO3
WOBR4
WSI2
TUNGSTEN
TUNGSTEN-DIOXIDE
WO2BR2
TUNGSTEN-TRIOXIDE
WOBR4
WSI2
SOLIDS Component
Databank: Y
Alias
Name
Y2C3O9
Y2C6O12*9W
Y2O5H5CL
Y2S3O12
Y2S3O12*8W
Y2SE3O9
Y2ZN17
YAS
YC2
YCL3*2CH3NH2
YCL3*3CH3NH2
YCL3*4CH3NH2
YCL3*6W
YCL3*CH3NH2
YH2
YH2.6
YH3
YI3
YI3O9
YNBO4
YO2H2CL
YO3H3
YRE3O12
YZN
YZN11
YZN2-A
YZN3
YZN4
Y2(CO3)3
Y2(C2O4)3*9H2O
Y2(OH)5CL
Y2(SO4)3
Y2(SO4)3*8H2O
Y2(SEO3)3
Y2ZN17
YAS
YC2
YCL3*2CH3NH2
YCL3*3CH3NH2
YCL3*4CH3NH2
YCL3*6H2O
YCL3*CH3NH2
YH2
YH2.6
YH3
YTTRIUM-TRIIODIDE
Y(IO3)3
YNBO4
Y(OH)2CL
Y(OH)3
Y(REO4)3
YZN
YZN11
YZN2-ALPHA
YZN3
YZN4
1-244 Databanks
Alias
Name
YZN5
YZN5
SOLIDS Component
Databank: Yb
Alias
Name
YB2C6O12*5W
YB2OC
YBBR3O9*9W
YBC2
YBCL3*6W
YBH2
YBI3O9
YBOCL
YB2(C2O4)3*5H2O
YB2OC
YB(BRO3)3*9H2O
YBC2
YBCL3*6H2O
YBH2
YB(IO3)3
YBOCL
SOLIDS Component
Databank: Zn
Alias
Name
ZN
ZN(OH)2
ZN(OH)2-B
ZN(OH)2-E
ZN2O3H3CL
ZN2P2O7
ZN3AS2O8
ZN4C6N6O
ZN4CL2O3*5W
ZN5BR2O4*13W
ZN5CL2O4*11W
ZN5N2O14H8
ZN6CL2O5*8W
ZN6I2O5*11W
ZN9CL2O8*10W
ZNAL2O4
ZNAS2
ZNB2O4
ZNBR2*2N2H4
ZNBR2*2NH3
ZNBR2*2W
ZNBR2*4NH3
ZNBR2*6NH3
ZNBR2*6NH3*W
ZNBR2*NH3
ZNC2H2O4
ZNC2H6O6
ZNC2N2
ZNC2O4*2W
ZNC4H10O6
ZNC4H12O4N2
ZNC4H12O6N2
ZNC4H18O4N4
ZNC4H18O6N4
ZINC
ZINC-HYDROXIDE
ZINC-HYDROXIDE-BETA
ZINC-HYDROXIDE-EPSILON
ZN2(OH)3CL
ZN2(P2O7)
ZINC-ARSENATE
(ZN(CN)2)3*ZNO
ZNCL2*3ZNO*5H2O
ZNBR2*4ZNO*13H2O
ZNCL2*4ZNO*11H2O
ZN(NO3)2*4ZN(OH)2
ZNCL2*5ZNO*8H2O
ZNI2*5ZNO*11H2O
ZNCL2*8ZNO*10H2O
ZNAL2O4
ZNAS2
ZN(BO2)2
ZNBR2*2N2H4
ZNBR2*2NH3
ZNBR2*2H2O
ZNBR2*4NH3
ZNBR2*6NH3
ZNBR2*6NH3*H2O
ZNBR2*NH3
ZINC-FORMATE
ZINC-FORMATE-DIHYDRATE
ZINC-CYANIDE
ZINC-OXALATE-DIHYDRATE
ZINC-ACETATE-DIHYDRATE
ZN(CH3CO2)2*2NH3
ZN(CH2OHCOO)2*2NH3
ZN(CH3CO2)2*4NH3
ZN(CH2OHCOO)2*4NH3
Databanks 1-245
1-246 Databanks
Alias
Name
ZNC4H24O4N6
ZNC4H24O6N6
ZNC4H30O4N8
ZNC4H6O4
ZNC4H6O6
ZNC4H8O5
ZNC4H8O7
ZNC4H9O4N
ZNCL2*2N2H4
ZNCL2*2NH3
ZNCL2*4NH3
ZNCL2*5NH3*W
ZNCL2*6NH3
ZNCL2*NH3
ZNCL2AM4W0.5
ZNCL2O8*6W
ZNCO3*W
ZNI2*2N2H4
ZNI2*2NH3
ZNI2*4NH3
ZNI2*6NH3
ZNI2*NH3
ZNI2O6
ZNN2H4
ZNN2H6CS3
ZNN2O6
ZNN2O6*2W
ZNN2O6*4W
ZNN2O6*6W
ZNN2O6*W
ZNN6
ZNO
ZNO*2ZNSO4
ZNO2H2-G
ZNO2H2-P
ZNP2O6
ZNS-1
ZNS-2
ZNS2O6*6W
ZNSB
ZNSEO3*W
ZNSEO4
ZNSEO4*6W
ZNSEO4*W
ZNSO4
ZNSO4*ZNO2H2
ZNTIO3
ZN(CH3CO2)2*6NH3
ZN(CH2OHCOO)2*6NH3
ZN(CH3CO2)2*8NH3
ZINC-ACETATE
ZINC-GLYCOLATE
ZINC-ACETATE-HYDRATE
ZINC-GLYCOLATE-HYDRATE
ZN(CH3CO2)2*NH3
ZNCL2*2N2H4
ZNCL2*2NH3
ZNCL2*4NH3
ZNCL2*5NH3*H2O
ZNCL2*6NH3
ZNCL2*NH3
ZNCL2*4NH3*0.5H2O
ZN(CLO4)2*6H2O
ZINC-CARBONATE-HYDRATE
ZNI2*2N2H4
ZNI2*2NH3
ZNI2*4NH3
ZNI2*6NH3
ZNI2*NH3
ZINC-IODATE
ZINC-AMIDE
ZN(NH3)2CS3
ZINC-NITRATE
ZINC-NITRATE-DIHYDRATE
ZINC-NITRATE-TETRAHYDRATE
ZINC-NITRATE-HEXAHYDRATE
ZINC-NITRATE-HYDRATE
ZINC-AZIDE
ZINC-OXIDE
ZNO*2ZNSO4
ZN(OH)2-GAMMA
ZN(OH)2-PPTD
ZN(PO3)2
ZINC-SULFIDE(SPHALENITE)
ZINC-SULFIDE(WURTZITE)
ZINC-SULFATE-HEXAHYDRATE
ZNSB
ZNSEO3*H2O
ZINC-SELENATE
ZINC-SELENATE-HEXAHYDRATE
ZINC-SELENATE-HYDRATE
ZINC-SULFATE
ZNSO4*ZN(OH)2
ZNTIO3
SOLIDS Component
Databank: Zr
Alias
Name
ZR2SI
ZR3SI
ZR3SI2
ZR5SI3
ZR6SI5
ZRBR4*2CH3CN
ZRCL4*2CH3CN
ZRF4*2NH4F
ZRF4*3NH4F
ZRF4*3W
ZRF4*NH4F
ZRF4*NH4F*W
ZRF4*W
ZRH2
ZRO2
ZROBR2*3.5W
ZROBR2*8W
ZROCL2*2W
ZROCL2*3.5W
ZROCL2*6W
ZROCL2*8W
ZRS2O8
ZRS2O8*4W
ZRS2O8*W
ZRSI
ZRSI2
ZR2SI
ZR3SI
ZR3SI2
ZR5SI3
ZR6SI5
ZRBR4*2CH3CN
ZRCL4*2CH3CN
ZRF4*2NH4F
ZRF4*3NH4F
ZRF4*3H2O
ZRF4*NH4F
ZRF4*NH4F*H2O
ZRF4*H2O
ZRH2
ZIRCONIUM-DIOXIDE
ZROBR2*3.5H2O
ZROBR2*8H2O
ZROCL2*2H2O
ZROCL2*3.5H2O
ZROCL2*6H2O
ZROCL2*8H2O
ZR(SO4)2
ZR(SO4)2*4H2O
ZR(SO4)2*H2O
ZRSI
ZRSI2
SOLIDS Component
Databank: Other
Elements
Alias
Name
ANALCITE
AS
(AS2O5)3*5W
AS2O3*SO3
CHRYSOTILE
GE3N4
GEI2
HFB
I2
I2O5*HIO3
ICL-A
ICL3
IRCL
IRCL3C12H30S
NESQUEHONITE
OSCL3
OSCL4
PO(OH)4
POS
NAALSI2O6*H2O
ARSENIC
(AS2O5)3*5H2O
AS2O3*SO3
MG3SI2O5(OH)4
GERMANIUM-TETRANITRIDE
GERMANIUM-DIIODIDE
HFB
IODINE
I2O5*HIO3
ICL-ALPHA
ICL3
IRCL
IRCL3*3(C2H5)2S
MGCO3*3H2O
OSCL3
OSCL4
PO(OH)4
POLONIUM-SULFIDE
Databanks 1-247
1-248 Databanks
Alias
Name
PYROPHYLLITE
RE3SI
REAS2
RECL5
RHCL3C12H30S
RUBR3
RUCL3C12H30S
RUI3
SE(OH)3CLO4
SEO2SO3
S
TA2H
TA5SI3
TASI2
(TEO2)2SO3
TMC2
TMI3O9
TMOCL
AL2SI4O10(OH)2
RE3SI
REAS2
RECL5
RHCL3*3(C2H5)2S
RUBR3
RUCL3*3(C2H5)2S
RUI3
SE(OH)3CLO4
SEO2SO3
SULFUR
TA2H
TA5SI3
TASI2
(TEO2)2SO3
TMC2
TM(IO3)3
TMOCL
CHAPTER 2
Electrolytes Data
Overview
The Aspen Physical Property System provides extensive built-in
parameters for the electrolyte NRTL model. These parameters
were developed using data for over 30 industrially important
electrolytic systems. This help describes each system including
the:
Solution chemistry
Range of applications
Sources of literature used
The solution chemistry includes:
Equilibrium reaction indicated by a two way arrow ()
Complete dissociation reaction indicated by an arrow ()
Salt precipitation reaction indicated by a two way arrow ().
A salt component is indicated by (s) in the formula.
The solution chemistry used for all the systems is internally
+
consistent. The hydronium ion (H 3 O ) is used for all systems. A

single set of model parameters is used to describe the interactions
between a given pair of components that may appear in several
systems.
For some systems, such as caustic systems, it is not possible to
describe the data accurately over the entire range of concentration.
In that case, a separate set of parameters and components has been
developed and are available in the form of an insert file.
Electrolytes Data 2-1
Table 2.1
System
Electrolytes Data Available in the Aspen Physical Property
System
Apparent Components
2-Amino-2-Methyl-1-Propa
nol with acid gas
Ammonia and carbon
dioxide
Ammonia and hydrogen
cyanide
Ammonia and hydrogen
sulfide
Ammonia and phosphoric
acid
Ammonia and sulfur
dioxide
Ammonia and water
H S, CO , H O
2 2
AMP, 2
NH , CO , H O
3
2
2
NH , HCN, H O
3
2
NH , H S, H O
3 2
2
NH , H S, H PO , H O
3 2
3 4 2
NH , SO , H O
3
2
2
NH , H O
3 2
Brine solution with sour

gases
Caustic solutions
NaCl, CO , H S, H O
2 2
2
Chlorine
Cl , H O
2 2
NaCl, Na SO , NaOH, H O
2 4
2
Chlorine, hydrogen chloride Cl 2 , HCI, CO 2 , NaOH, H 2 O

and sodium hydroxide
Diethanolamine with acid DEA, H 2 S, CO 2 , H 2 O
gases
Diglycolamine with acid
DGA, H S, CO , H O
2
2 2
gases
Flue-gas and water
H O, SO , SO , CO , CO, NO , NO, N , O ,
2
HCl, HF, HNO , HNO , H SO , H SeO , HgCl ,

3
2 2 4 2
3
2
Hg Cl , Hg, C, Se, SeO , Hg(OH) , CaSO * 2H O,
2 2
2
2
4
2
CaF , CaO, Ca(OH)
2
2
CO
2-2 Electrolytes Data
Hot carbonate 2
absorption
Hot carbonate with
diethanolamine
Hydrogen bromide
K CO , CO , H O
2 3
2 2
Hydrogen chloride
HCI, H O
2
Hydrogen chloride and

magnesium chloride
Hydrogen flouride
HCI, M Cl , H O
g 2 2
K CO , CO , DEA, H O
2 3
2
2
HBr, H O
2
HF, H O
2
System
Apparent Components
Hydrogen iodide
HI, H O
2
Methyldiethanolamine with MDEA, H 2 S, CO 2 , H 2 O

acid gases
Monoethanolamine with
MEA, H S, CO , H O
2
2 2
acid gases
Nitric acid
HNO , H O
3 2
Potassium hydroxide
KOH, H O
2
Sodium hydroxide
NaOH, H O
2
Sodium hydroxide and

sulfur dioxide
Sour water
NaOH, SO , H O
2 2
Sour water and caustic
NH , CO , H S, NaOH, H O
3
2 2
2
Sulfuric acid
H SO , H O
2 4 2
NH , CO , H S, H O
3
2 2
2
Sulfuric acid and hydrogen H 2 SO 4 , HB r , H 2 O

bromide
Sulfuric acid and hydrogen H 2 SO 4 , HCI, H 2 O
chloride
2-Amino-2-Methyl-1-Propanol with
Acid Gases
The components included in this system are: H 2O, CO 2 ,
2-Amino-2-Methyl-1-Propanol (AMP), and water. Henrys law is
used for H 2 S and CO 2 . AMP is a hindered amine.
Application: H 2 S, and CO 2 , absorption/stripping with AMP
solutions.
Solution Chemistry
The aqueous phase reactions considered for this system are:
2 H2 O
H3O++ OH
H 2 S + H 2O
H3O++ HS
HS - + H2O
H3O++ S -2
CO2 + 2H2O
H3O++ HCO3
HCO3- + H2O
H3O++ CO3
AMP+ + H2O
H3O++ AMP
-2
Range of Applicability
Temperatures:
40 100C
AMP Concentration: up to 28.5 weight percent.

Data Sources
Bruce E. Roberts and Alan E. Mather, Chem. Eng. Comm., Vol.

65, pp. 105-111 (1988).
Tjoon T. Teng and Alan E. Mather, J. Chem. Eng. Data, Vol. 35,
pp. 410-411 (1990).
Additional Data Packages
A special data package is also available for this amine system in

the form of an insert file: KEAMP. This data package contains
kinetic reactions and rate constants, allowing you to model the
AMP system more accurately using RADFRAC or RATEFRAC.
Ammonia and Carbon Dioxide

The components included in this system are: ammonia ( NH 3 ),
carbon dioxide ( CO2 ), and water. Henry's law is used for NH 3
and CO2 .
Applications:
Sour water stripping
Absorption of CO2 with ammonia
Solution Chemistry
The aqueous phase reactions that are considered are:

2H2 O
H3O+ + OH
CO2 + 2 H2 O
H3O+ + HCO3
HCO3 + H2O
H3O+ + CO32
NH3 + H2O
NH4+ + OH -
NH3 + HCO3
NH2 CO2 + H2O
Temperature
0 100C
Pressure
250 psia
NH 3 concentration
up to approximately 23 molal
CO2 concentration
Data Sources
D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for

Design of Sour Water Strippers," Annual Report to the API for
1974, October 1975.
E. Otsaka, S. Yoshimura, M. Yokabe and S. Inque, Kogyo Kagaku
Zasshi, 63, 1214 (1960).
Ammonia and Hydrogen Cyanide

The components included in this system are: water, ammonia
( NH 3 ), and hydrogen cyanide (HCN). Henrys law is used for
NH 3 and HCN.
Application: Absorption of HCN with NH 3
Solution Chemistry
The aqueous phase reactions considered in this system are:

2 H2 O
H3O + + OH
H2O + NH3
NH4+ + OH
HCN + H2O
H3O+ + CN
Temperature
0 100C
NH 3 concentration
up to about 23 molal
Ammonia and Hydrogen Sulfide

hydrogen sulfide ( H 2 S ), and water. Henrys law is used for NH 3
and H 2 S .
Applications:
Sour water stripping
Absorption of H 2 S with ammonia
Solution Chemistry
The aqueous phase reactions that are considered are:

2 H2 O
H3O+ + OH
NH3 + H2 O
NH4+ + OH
H2 S + H2 O
H3O+ + HS
HS + H2 O
H3O + + S
Temperature
80 120C
Pressure
250 psia
NH 3 concentration
H 2 S concentration
Extrapolation for this system has been checked to produce

reasonable results.
Data Sources

1974, October 1975.
Ammonia and Phosphoric Acid

phosphoric acid ( H 3 PO 4 ), H 2 S , and water. Henrys law is used
for, NH 3 , H 3 PO 4 and H 2 S .
Application: Stripping NH 3 , H 2 S from phosphoric acid
Solution Chemistry

2H 2 O
H3O+ + OH
H2O + NH3
NH4+ + OH
H 2 S + H2 O
H3O+ + HS
HS + H2 O
H3O+ + S 2
H3 PO4 + H2 O
H3O+ + H2 PO4
H 2 PO4 + H2 O
H3O+ + HPO42
HPO42 + H2 O
H3O+ + PO43
Temperature
up to 120C
H 3 PO 4 concentration
up to 50 weight percent
NH 3 : H 3 PO 4 molar ratio
up to 2
Data Sources
F.A. Lenfesty and Brosheer, J.C., "Ammonia-Phosphoric

Acid-Water System at 25C," J. Chem. and Eng. Data, (1960).
N.G. Bunakov and Kharlampovich, G.D., "The pressure of
Ammonia Vapor Above Solutions of Ammonium
Orthophosphate," Zhurnal Prokladnoi Khimii, Vol. 37, pp. 3641,
(1964).
Ammonia and Sulfur Dioxide

( NH 3 ), and sulfur dioxide ( SO 2 ). Henrys law is used for NH 3
and. SO 2 .
Application: Absorption of SO 2 with ammonia
Solution Chemistry

2H 2 O
H3O+ + OH
H2O + NH3
NH4+ + OH
SO2 + 2 H2 O
H3O+ + HSO3
HSO3- + H2 O
H3O+ + SO32
Temperature
0 100C
NH 3 concentration
to about 12 molal
SO 2 concentration
to about 10 molal
Data Sources
H.F. Johnstone and P.W. Leppla, "The Solubility of Sulfur Dioxide

at Low Partial Pressures. The Ionization Constant and Heat of
Ionization of Sulfurous Acid," J. Am. Chem. Soc, Vol. 56, p. 2233,
(1934).
Ammonia and Water

The components included in this system are: water and ammonia
( NH 3 ). Henry's law is used for NH 3 .
Application: Absorption of NH 3 with water
Solution Chemistry
2 H2 O
H3O + + OH
H2O + NH3
NH4+ + OH
Temperature
0 150C
NH 3 concentration
A special data package is also available for the ammonia system in

the form of an insert file: NH3H2O. This data package assumes
ammonia as a solvent and uses a special corresponding state
method for enthalpy calculation, allowing you to model the
ammonia system over the concentration range up to 100 weight
percent of ammonia.
Brine Solution with Sour Gases

The components included in this system are H 2 S , CO 2 , NaCl and
water. Henry's law is used for H 2 S and CO 2 .
Applications:
Sea water desalting
H 2 S , CO 2 stripping
Downstream processing of water decant in platform separation
Solution Chemistry

2H2O
H3O+ + OH
H 2 S + H2 O
H3O+ + HS
HS + H2 O
H3O+ + S 2
2H2O + CO2
H3O+ + HCO3
HCO3- + H2O
H3O+ + CO32
NaCL
Na + + Cl
NaCL(s)
Na + + Cl
Temperature
0 200C
Pressure
up to 1000 atm for CO 2
NaCl concentration
up to saturation
Data Sources
The main data source is: S.E. Drummond, Ph.D. thesis,

Pennsylvania State University, (1981).
A special data package is also available for this brine system in the
form of an insert file: EBRINX. This data package uses special
parameter values, allowing you to model the brine system over the
temperature range up to 400C
Caustic Solutions
The components included in this system are: sodium hydroxide
(NaOH), sodium chloride (NaCl), sodium sulfate ( Na 2SO 4 ), and
water. Salt precipitation is considered.
Application:
Downstream processing of HCl or H 2 SO 4 neutralization

Multieffect evaporators in NaOH production
Solution Chemistry

NaOH
Na + + OH
NaCl
Na+ + Cl
NaCl(s)
Na+ + Cl
Na2 SO4
2Na+ + SO42
Na2 SO4 (s)
2Na+ + SO42
GLAUBER(s)
2Na+ + SO42 + 10 H2 O
DOUBLE(s)
3Na+ + SO42 + OH
TRIPLE(s)
4Na+ + SO42 + Cl + OH
Salt precipitation is considered for NaCl(s), Na2SO4(s), as well as

for the Glauber, double, and triple salts.
Temperature
0 200C
Pressure
up to 10 atm
NaOH concentration
NaCl concentration
up to saturation
Na2SO4 concentration
up to saturation
Data Sources
H.L. Silcock, Solubilities of Inorganic and Organic Compounds,

Volume 3: Ternary and Multicomponent Systems of Inorganic
Substances, Part 2, (Pergamon Press, 1979).
W.F. Linke and A. Seidell, Solubilities: Inorganic and MetalOrganic Compounds, 4th ed., Vol. II, Am. Chem. Soc., (1965).
W. C. Schroeder, A. Gabriel, and E. P. Partridge, J. Am. Chem.
Soc., Vol. 57, (1935), p. 1539.
Chlorine and Water

The components included in this system are chlorine ( Cl 2 ) and
water. Henrys law is used for Cl 2 , HCl, and HClO.
Application: Absorption of Cl 2 with water
Solution Chemistry

2H 2 O
H3O+ +OH -
2H2O + Cl2
H3O+ + Cl - + HClO
HClO + H2O
H3O+ + ClO-
HCl + H2O
H 3O + + Cl-
Temperature
0 100C
This system forms two liquid phases at high concentration.

Data Sources
Vapor-liquid equilibrium data used for this system:

W. F. Linke, Solubilities, Inorganic and Metal-Organic
Compounds, 4th ed.,Vol. I, (Princeton, NJ: D. Van Nostrand Co.,
1958), pp. 782-783.
Chlorine, Hydrogen Chloride, and

Sodium Hydroxide
The components included in this system are: chlorine ( Cl 2 ),
carbon dioxide ( CO 2 ), hydrogen chloride (HCl), sodium
hydroxide (NaOH), and water. Henry's law is used for Cl 2 , CO 2 ,
HCl and HClO.
Application: Cl 2 - NaOH scrubber with the addition of HCl

Solution Chemistry

2H 2 O
H3O+ +OH -
CO2 + 2H2O
H3O+ + HCO3
HCO3 + H2O
H3O+ + CO3 2
Cl2 + 2H2O
H 3O++Cl - + HClO
HClO + H 2O
H3O+ + ClO-
HCl + H2O
H3O+ + Cl -
NaOH
Na+ + OH
Na2CO3
Na+ + CO3 2
NaHCO3
Na+ + HCO3
NaCl
Na+ + Cl
NaCLO
Na+ + ClO
Temperature
0 100C
HCl concentration
NaOH concentration
Data Sources
Jurgen Krey, "Dampfdruck und Dichte des Systems H 2 O -NAOH,"

Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252.
I.A. Dibrov, G.Z. Maltsev, and V.P. Masovets, "Saturated Vapor
Pressure of Caustic Soda and Sodium Aluminate Solution in the
25-350 C Temperature Range Over a Wide Range of
Concentrations, Zh. Prik. Khimii," Vol. 37, (1964), No. 9,
pp. 1920-1929.
J.W. Bertetti and W.L. McCabe, Ind. Eng. Chem., 28, p. 247,
(1936).
H.R. Wilson and W.L. McCabe, "Specific Heats and Heats of
Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng.
Chem., Vol. 34, p. 558, (1942).
Horvath, Handbook of Aqueous Electrolyte Solutions, 1986.
W. F. Linke, Solubilities, Inorganic and Metal-Organic

Compounds, 4th ed., Vol. I, D. Van Nostrand Co., Priceton, NJ,
(1958), pp. 782-783.
D.D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982),
Suppl 2.
R.H. Pery and C. H. Chilton, Chemical Engineers Handbook, 5th
ed., (1973) McGraw-Hill.
R. Vega and J. H. Vera, Can. J. Chem. Eng., Vol.54, (1976), p.
245.
R. Hasse et al., Coll. Czech. Chem. Comm. Engl. Edn., Vol. 37, p.
220, (1963).
Diethanolamine with Acid Gases

The components included in this system are: H 2 S , CO2 ,
diethanolamine (DEA), and water. Henrys law is used for H 2 S
and CO2 . Enthalpy of solution data is used to develop this model.
Application: H 2 S and CO2 absorption/stripping with DEA
solutions
Solution Chemistry

2H 2 O
H3O+ +OH -
H 2 S + H 2O
H3O+ + HS -
HS - + H2O
H3O+ + S -2
2H2O + CO2
H3O+ + HCO3-
HCO3- + H2O
H3O+ + CO3-2
DEA+ + H2 O
DEA + H3O+
DEACOO + H2O
DEA + HCO3-
Temperature
up to 140C
DEA Concentration
Data Sources
The parameter values are obtained from:

D.M. Austgen, G.T. Rochelle, X. Peng and C.C. Chen, "A Model
of Vapor-Liquid Equilibria in the Aqueous Acid Gas-
Alkanolamine System Using the Electrolyte-NRTL Equation,"

paper presented at the New Orleans AICHE meeting, March 1988.
Helton, R., J.J. Christensen and R.M. Izatt, Enthalpies of Solution
of CO2 in Aqueous Diethanolamine Solutions," RR-108, Gas
Processors Association, 1987.
Van Dam, R., J.J. Christensen, R.M. Izatt and J.L. Oscarson,
"Enthalpies of Solution of H2S in Aqueous Diethanolamine
Solutions, RR-114, Gas Processors Association, 1988.
Two special data packages are also available for this amine system
in the form of insert files: KDEA and KEDEA. Both data packages
contain kinetic reactions and rate constants, allowing you to model
the DEA system more accurately using RADFRAC or
RATEFRAC. The main difference between KDEA and KEDEA is
that KDEA uses option set of SYSOP15M and KEDEA uses
option set of ELECNRTL.
Diglycolamine with Acid Gases

The components included in this system are: H 2 S , CO2 ,
diglycolamine (DGA), and water. Henrys law is used for H 2 S and
CO2 .
Application: H 2 S and CO2 absorption/stripping with DGA

solutions
Solution Chemistry

2H 2 O
H3O+ +OH -
DGA + 2H2O
DGA+ + OH -
H 2 S + H 2O
H3O+ + HS -
HS - + H2O
H3O+ + S -2
CO2 + 2H2O
H3O+ + HCO3-
HCO3- + H2O
H3O+ + CO3-2
HCO3- + DGA
H2O+ DGACOO-
Temperature
up to 100C
DGA concentration
A special data package is also available for this amine system in

the form of an insert file: KEDGA. This data package contains
kinetic reactions and rate constants, allowing you to model the
DGA system more accurately using RADFRAC or RATEFRAC.
Flue-Gas and Water

This is a special data package in the form of an insert file:
FLUE_G. The components included in the flue-gas / water system
are: water, SO2, SO3, CO, CO2, NO, NO2, N2, O2, HCl, HF,
HNO3, HNO2, H2SO4, H2SeO3, HgCl2, Hg2Cl2, Hg, C, Se,
SeO2, Hg(OH) 2, CaSO4*2H2O, CaF2, CaO and Ca(OH) 2.
Henrys law is used for SO2, CO, CO2, NO, N2, O2, HCl and Hg.
Salt precipitation is considered.
Application: flue-gas cleaning for fossil power plant and waste
incineration plant
Solution Chemistry
The reactions that are considered in this system are shown as

follows:
2 H2 O
H3O+ + OH
CO2 + 2 H2 O
H3O+ + HCO3
HCO3 + H2 O
H3O+ + CO3 2
SO3 + 2 H 2 O
H3O+ + HSO4-
H2O + H2 SO4
H3O+ + HSO4-
H 2 O + HSO4
H3O+ + SO4-2
HCl + H2 O
H3O+ + Cl
H2O + HF
H3O+ + F -
H2O + HNO3
H3O+ + NO3
H 2 O + HNO2
H 3O+ + NO2
SO2 + 2 H2 O
H3O+ + HSO3
HSO3- + H2 O
H3O+ + SO32
SeO2 + 2 H 2 O
H 3O + + HSeO3
HSeO3- + H 2 O
H3O + + SeO32
H2 SeO3 + H2 O
H 3O + + HSeO3-
Hg +2 + Hg
Hg 2+2
Hg +2 + 2 H 2 O
H 3O + + Hg ( OH ) +
Hg (OH ) + + 2 H2 O
H 3O + + Hg ( OH )2
Hg +2 + Cl
HgCl +
HgCl + + Cl
HgCl2
HgCl2 + Cl
HgCl3
NO + NO2 + H 2 O
2 HNO2
HgCl2 + 3 H 2 O + 0.5C
Hg + 2Cl + 2 H 3O + + 0.5CO2
SO2 + 2 H 2 O + 0.5SeO2
HSO4 + H 3O + + 0.5Se
SO2 + NO2
SO3 + NO
SO2 + 0.5O2
SO3
SO2 + NO2
SO3 + NO
Ca( OH ) +
Ca +2 + OH
2 NO2 + 0.5O2 + H 2 O
2 HNO3
CaO + H 2 O
Ca ( OH ) + + OH
HgCl2 + 5 H 2 O + SO2
Hg + 2Cl + 3 H 3O + + HSO4
Hg 2 Cl2
Hg2+2 + 2Cl
HgCl2(s)
HgCl + + Cl
CaSO4* 2 H 2 O(s)
Ca +2 + SO42 + 2 H 2 O
CaF2(s)
Ca +2 + 2 F
Ca( OH ) 2 (s)
Ca ( OH ) + + OH
Temperature
0 100C
Data Sources
M. Luckas, K. Lucas and H. Roth, AIChE Journal, Vol. 40, pp

1892-1900, (1994).
H. L. Clever, S. A. Johnson and M. E. Derrick, J. Phys. Chem. Ref.

Data, Vol. 14, pp 631-680, (1985).
L. D. Hansen, R. M. Izatt and J. J. Christensen, Inorg. Chem., Vol.
2, pp 1243-1245, (1963).
Hot Carbonate CO2 Absorption

The components included in the hot carbonate CO 2 absorption
system are: water, CO 2 , and potassium carbonate ( K 2CO3 ).
Henrys law is used for CO 2 . Salt precipitation is considered.
Application: CO 2 absorption/stripping with K 2CO3 solutions
Solution Chemistry
The aqueous phase reactions that are considered in this system are
shown as follows:
K 2CO3
2K + + CO3 2
KHCO3
K + + HCO3
CO2 + 2 H2 O
H3O+ + HCO3
HCO3 + H2 O
H3O+ + CO3 2
2 H2 O
H3O+ + OH
K 2CO3 ( s)
2K + + HCO3
KHCO3 ( s )
K + + HCO3
Temperature
70 140C
Pressure
up to approximately 150 psia
K 2CO3 oncentration
Extrapolation to higher temperature, pressure, and potassium

carbonate concentration will also give reasonable results.
Data Sources
J. S. Tosh, J.H. Field, H.E. Benson, and W.P. Haynes,

"Equilibrium Study of the System Potassium-Carbonate, Potassium
Bicarbonate, Carbon Dioxide, and Water.", Report of Investigation
5484, U.S. Department of Interior, 1959.
Hot Carbonate with Diethanolamine

The components included in this system are: CO 2 , potassium
carbonate ( K 2CO3 ), diethanolamine (DEA), and water. Henrys
law is used for CO 2 .
Application: CO 2 absorption/stripping with K 2CO3 and DEA
solutions
Solution Chemistry

2 H2 O
H3O+ + OH
CO2 + H2O
H3O+ + HCO3
HCO3 + H2 O
H3O+ + CO3 2
DEA+ + H2 O
DEA + H3O+
DEACOO + H2O
DEA + HCO3-
K 2CO3
2K + + CO3-2
KHCO3
K + + HCO3-
Temperature
70 140C
Pressure
up to approximately 150 psia
K 2CO3 concentration
DEA concentration
Data Sources
J. S. Tosh, J.H. Field, H.E. Benson, and W.P. Haynes,

"Equilibrium Study of the System Potassium-Carbonate, Potassium
Bicarbonate, Carbon Dioxide, and Water.", Report of Investigation
5484, U.S. Department of Interior, 1959.
D.M. Austgen, G.T. Rochelle, X. Peng and C.C. Chen, "A Model
of Vapor-Liquid Equilibria in the Aqueous Acid GasAlkanolamine System Using the Electrolyte-NRTL Equation,"
Paper presented at the New Orleans AICHE Meeting, March,
1988.
Hydrogen Bromide
The components included in this system are: water and hydrogen
bromide (HBr).
Application: Absorption of HBr from gas or air using water
Solution Chemistry
The aqueous phase reaction considered in this system is:

HBr + H2 O
HBr + H2 O
+
The H 2O dissociation reaction is not considered because the H3O
concentration is determined primarily by HBr dissociation
reaction.
Temperature
25 125C
Pressure
up to 780 torr
HBr concentration
Data Sources
Suppl 2.
S.J. Bates, and H.D. Kirschman, J. Am. Chem. Soc, Vol. 41,
(1991), p. 1919.
L. Chevaller and Gaston-Bonhomme Y.H., J. Chem. Eng. Data,
(1980), Vol. 25, p. 271.
R. Hasse et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37,
(1963), p. 220.
G. Wuster, G. Wozny, and Z. Giazitzoglou, Fluid Phase Eq., Vol.
6, (1981), p. 93.
International Critical Tables, Vol. 3, p. 306.
Hydrogen Chloride
chloride (HCl). Henry's law is used for HCl.
Application: Absorption of HCl from gas or air, using water
Solution Chemistry

HCl + H2 O
H3O+ + Cl
The water dissociation reaction is not considered because the
H3O + concentration is determined primarily by HCl dissociation
reaction.
Temperature
0 110C
Pressure
up to 2 bar
HCl concentration
Data Sources
D. D. Wagman, et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982),

Suppl 2.
R. H. Perry, and C.H. Chilton, Chemical Engineers Handbook, 5th
ed., McGraw-Hill, (1973).
R. Vega, and J.H. Vera, Can. J. Chem. Eng., Vol. 54, (1976), p.
245.
Hasse, R. et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37,
(1963), p. 220.
Two special data package are also available for hydrogen chloride
system in the form of insert files: EHCLLE and EHCLFF.
EHCLLE is for liquid-liquid equilibrium applications. EHCLFF
uses the vapor-liquid equilibria (VLE) data of Fritz and Fuget (Ind.
And Eng. Chem., 10, 1956) instead of those from Perry and Chilton
in parameter regression. It is believed that the VLE data of Fritz
and Fuget is more accurate at low concentration range.
Hydrogen Chloride and Magnesium

Chloride
The components included in this system are: water, hydrogen
chloride (HCl), and magnesium chloride ( MgCl 2 ). Henry's law is
used for HCl.
Application:
Extractive distillation of HCl
Breaking the H 2O -HCl azeotrope
Solution Chemistry

H2O + HCl
H3O+ + Cl -
MgCl2
Mg+2 + 2Cl
Temperature
0 100C
HCl concentration
MgCl 2 concentration
up to 6 m
Data Sources
T. Sako et al., J. Chem. Eng. Data, Vol. 30, (1985), pp. 224-228.
N. Pochtarev and Kozhemyakin, V.A., Tsvetn. Met., Vol. 4,
(1977), pp. 47-49.
Hydrogen Fluoride
fluoride (HF). Hydrogen fluoride is treated as a solvent, so Henry's
law is not used.
Application: Absorption of HF from gas or air, using water
Solution Chemistry

H2O + HF
H3O+ + F -
Temperature
25 100C
Pressure
up to 1.2 bar
HF concentration
Data Sources
D. D. Wagman et al., J. Phys. Chem. Ref. Data, (1982), 11, Suppl

2.
J. C. Brosheer, F.A. Lenfesty, and K.L. Elmore, Ind. Eng. Chem,
Vol. 39, No. 3, (1947), p. 423.
P. A. Munter, Aepli, O.T., and Kossatz, R.A., Ind. Eng. Chem.,
Vol. 39, No. 3, (1947), p. 427.
Weast, Handbook of Chemistry and Physics, (CRC Press: 198788), p. D-122.
A special data package is also available for the hydrogen fluoride

system in the form of an insert file: MHF2. This data package uses
option set of ENRTL-HF which considers HF association in the
vapor phase.
Hydrogen Iodide and Water

The components included in this system are hydrogen iodide (HI)
and water. Henrys Law is used for HI.
Application: Absorption of HI from gas or air, using water
Solution Chemistry

HI + H2O
H3O+ + I
+
Water dissociation is not considered because the H3O

concentration is determined primarily by HI dissociation reaction.
Temperature
25 130C
Pressure
up to 1 bar
HI concentration
Data Sources
D. D. Wagman, et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982),

Suppl 2.
T. Sako, et al., Kagaku Kogako Ronbunshu, Vol. 7, No. 2, (1981),
p. 191.
S. J. Bates, and H.D. Kirschman, J. Am. Chem. Soc., Vol. 41,
(1991) p. 1919.
Methyldiethanolamine with Acid

Gases
The components included in this system are: H 2S , CO2 ,
methyldiethanolamine (MDEA), and water. Henry's law is used for
H 2S and CO2 . Enthalpy of solution data is used to develop this
model.
Application: H 2S and CO2 absorption/stripping with MDEA
solutions
Solution Chemistry

2H 2 O
H3O+ + OH
H 2 S + 2 H 2O
H3O+ + HS
HS + H2O
H3O+ + S 2
CO2 + 2 H2O
H3O+ + HCO3
HCO3 + H2O
H3O+ + CO3 2
MDEA + + H2O
H3O+ + MDEA
Temperature
25 120C
MDEA concentration
up to 51.4 weight percent
Data Sources
Jou Fang-Yuan et al., Can. J. Chem. Eng., Vol. 71, (1993), p. 264.
Jou Fang-Yuan, A. E. Mather and F. D. Otto, Ind. Eng. Chem.
Process Des. Dev., Vol. 21, (1982), p. 539.
D. M. Austgen, G. T. Rochelle, and C. -C. Chen, Ind. Eng. Chem.
Res., Vol. 30, (1991), p. 543.
Jou Fang-Yuan, J.J. Carroll, A.E. Mather, and F.D. Otto, J. Chem.
Eng. Data, Vol. 38, (1993), p. 75.
Merkley, K.E., J.J. Christensen and R.M. Izatt, "Enthalpies of
Solution of CO2 in Aqueous Methyldiethanolamine Solutions,"
RR-102, Gas Processors Association, 1986.
Oscarson, J.L., and R.M. Izatt, "Enthalpies of Solution of H2S in
Aqueous Diethanolamine Solutions," RR-127, Gas Processors
Association, 1990.
Three special data packages are also available for this amine
system in the form of insert files: KMDEA, KEMDEA and
PMDEA. Both KMDEA and KEMDEA contain kinetic reactions
and rate constants, allowing you to model the MDEA system more
accurately using RADFRAC or RATEFRAC. The main difference
between KMDEA and KEMDEA is that KMDEA uses option set
of SYSOP15M and KEMDEA uses option set of ELECNRTL.
PMDEA is based on the work of Posey and Rochelle ( Ind. Eng.
Chem. Res., Vol. 36, 1997, p. 3944-3953). PH and conductivity
data are utilized to supplement vapor-liquid equilibria data in
parameter regression. The result at low acid gas loading is
improved.
Monoethanolamine with Acid Gases

The components included in this system are: H 2S , CO2 ,
monoethanolamine (MEA), and water. Henrys law is used for
H 2S and CO2 .
Applications:
Cleaning natural gas or flue gas
H 2S , CO2 absorption/stripping using aqueous MEA solutions
Solution Chemistry

2H 2 O
H3O+ + OH
H 2 S + 2 H 2O
H3O+ + HS
HS + H2O
H3O+ + S 2
CO2 + 2 H2O
H3O+ + HCO3
HCO3 + H2O
H3O+ + CO32
MEA + + H2O
H3O+ + MEA
MEACOO + H2O
HCO3 + MEA
Temperature
up to 120C
MEA concentration
Data Sources
The parameter values are obtained from:

D.M. Austgen, G.T. Rochelle, X. Peng, and C.C. Chen, "A Model
of Vapor-Liquid Equilibria in the Aqueous Acid GasAlkanolamine System Using the Electrolyte-NRTL Equation,"
Paper presented at the New Orleans AICHE Meeting, March 1988.
Two special data packages are also available for this amine system
in the form of insert files: KMEA and KEMEA. Both data
packages contain kinetic reactions and rate constants, allowing you
to model the MEA system more accurately using RADFRAC or
RATEFRAC. The main difference between KMEA and KEMEA
is that KMEA uses option set of SYSOP15M and KEMEA uses
option set of ELECNRTL.
Nitric Acid
The components included in this system are nitric acid ( HNO3 )
and water.
Application: Nitric acid distillation
Solution Chemistry

H2O + HNO3
H3O+ + NO3
+
Water dissociation is not considered because the H3O
concentration is determined primarily by HNO3 dissociation

reaction.
Temperature
0 100C
HNO3 concentration
Data Sources
D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982),

Suppl 2.
R. H. Perry and C.H. Chilton, Chemical Engineers Handbook, 6th
Kirk Othmer, Encyclopedia of Chemical Technology, Vol. 15, p.
855.
Potassium Hydroxide
The components included in this system are potassium hydroxide
(KOH) and water.
Application: Upstream of neutralization
Solution Chemistry

KOH
K + + OH
Temperature
0 80C
KOH concentration
Data Sources
H. S. Harned and B. B. Owen, The Physical Chemistry of

Electrolytic Solutions, 3rd ed., Reinhold Publishing Corporation,
New York (1958).
Suppl. 2.
Sodium Hydroxide
The components included in this system are sodium hydroxide
(NaOH) and water.
Application: Upstream of neutralization
Solution Chemistry

NaOH
Na + + OH
Temperature
0 200C
NaOH concentration
Data Sources
Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z.

Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252.
I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor
25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii,
Vol. 37, No. 9, (1964), pp. 1920-1929.
J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28,
(1936), p 247.
H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of
Chem., Vol. 34, (1942), p. 558.
Horvath, Handbook of Aqueous Electrolyte Solutions, (1986).
A special data package is also available for the sodium hydroxide

system in the form of an insert file: MNAOH. This data package
considers ion hydration effect, allowing you to model the sodium
hydroxide system over the concentration range up to 60 weight
percent.
Sodium Hydroxide and Sulfur Dioxide

The components included in this system are: water, sulfur dioxide
( SO 2 ), and sodium hydroxide (NaOH). Henrys law is used for
SO 2 .
Application: Absorption of SO 2 in NaOH solution

Solution Chemistry

2H 2 O
H3O+ + OH
2 H 2O + SO2
H3O+ + HSO3
HSO3 + H2O
H3O+ + SO32
NaOH
Na+ + OH
Temperature
35 90C
NaOH concentration
up to 8 molal
SO2 concentration
up to 7 molal
Data Sources
H.F. Johnstone et al., "Recovery of Sulfur Dioxide From Waste

Gases," Ind. Eng. Chem., Vol. 30, (1938), p. 101.
Vol. 37, No. 9, (1964), pp. 1920-1929.
(1936), p 247.
Chem., Vol. 34, (1942), p. 558.
E. Otsaka, S. Yoshimura, M. Yokabe, and S. Inque, Kogyo Kagaku
Zasshi, Vol. 63, (1960), p. 1214.
Sour Water
The components included in this sour water system are: ammonia
( NH 3 ), hydrogen sulfide ( H 2S ), carbon dioxide ( CO2 ), and water.
Henrys law is used for NH 3 , CO2 , and H 2S .
Application: Sour water stripping
Solution Chemistry
The aqueous phase reactions that are considered in this system are:
2H 2 O
H3O+ + OH
H 2 S + H2 O
H3O+ + HS
HS - + H2 O
H3O+ + S 2
CO2 + 2 H2 O
H3O+ + HCO3
HCO3 + H2O
H3O+ + CO32
NH3 + H2O
NH4+ + OH -
NH3 + HCO3
NH2 CO2 + H2O
Temperature
0 120C
Maximum Pressure
250 psia
NH 3 concentration
H 2S concentration
up to about 8 molal
CO2 concentration
up to about 8 molal
Extrapolation of this system has been checked to produce

reasonable results.
Data Sources

1974, October 1975.
Sour Water and Caustic

( NH 3 ), hydrogen sulfide ( H 2S ), carbon dioxide ( CO2 ), and
caustic (NaOH). Henry's law is used for NH 3 , CO2 , and H 2S .
Applications: Sour water with caustic
Solution Chemistry

2H 2 O
H3O+ + OH
H 2 S + 2 H 2O
H3O+ + HS
HS + H2O
H3O+ + S 2
CO2 + 2 H2O
H3O+ + HCO3
HCO3 + H2O
H3O+ + CO32
NH3 + H2 O
NH4+ + OH
NH3 + HCO3
NH2 CO2 + H2O
NaOH
NA + + OH
Temperature
0 100C
Pressure
250 psi
NH 3 concentration
up to 23 molal
H 2S concentration
up to 8 molal
CO2 concentration
up to 8 molal
NaOH concentration
Data Sources
D.H. Miles and G.M. Wilson, "Vapor-Liquid Equilibrium Data for

1974, October 1975.
E. Otsaka, S. Yoshimura, M. Yokabe, and S. Inque, Kogyo Kagaku
Zasshi, Vol. 63, (1960), p. 1214.
Vol. 37, No. 9, (1964), pp. 1920-1929.
(1936), p. 247.
Chem., Vol. 34, (1942), p. 558.
Sulfuric Acid
The components included in this system are: water and sulfuric
acid ( H 2SO4 ).
Application: Sulfuric acid production
Solution Chemistry

H2O + H2 SO4
H3O+ + HSO4-
H 2 O + HSO4
H3O+ + SO4-2
Temperature
0 200C
H 2SO4 concentration
Data Sources

Suppl 2.
Sulfuric Acid and Hydrogen Bromide

The components included in this system are sulfuric acid ( H 2SO4 ),
hydrogen bromide, and water.
Application: Simultaneous HBr + H 2SO4 absorption
Break azeotrope H 2O + H2SO4
Solution Chemistry
H2 SO4 + H2O
H3O+ + HSO4-
HSO4 + H2O
H3O+ + SO4-2
HBr + H2O
H3O+ + Br -
Range of Application
Temperature
25 125C
HBr concentration
Data Sources
Suppl 2.
S.J. Bates, and H.D. Kirschman, J. Am. Chem. Soc, Vol. 41,
(1991), p. 1919.
L. Chevaller and Gaston-Bonhomme Y.H., J. Chem. Eng. Data,
(1980), Vol. 25, p. 271.
R. Hasse et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37,
(1963), p. 220.
G. Wuster, G. Wozny, and Z. Giazitzoglou, Fluid Phase Eq., Vol.
6, (1981), p. 93.
International Critical Tables, Vol. 3, p. 306.
R. H. Perry and C. H. Chilton, Chemical Engineers Handbook, 6th
Sulfuric Acid and Hydrogen Chloride

The components included in this system are: water, hydrogen
chloride (HCl), and sulfuric acid ( H 2SO4 ). Henry's law is used for
HCl.
Applications:
Simultaneous HCl + H 2SO4
Break azeotrope H 2O + H 2SO4
Solution Chemistry
H2O + H2 SO4
H3O+ + HSO4-
HSO4 + H2O
H3O+ + SO4-2
H2O + HCl
H3O+ + Cl -
Range of Applications
Temperature
0 110C
HCl concentration
up to 16 molal
Data Sources

Suppl 2.
J-L. E. Chevalier and Y. H. Gaston-Bonhomme, J. Chem. Eng.
Data, Vol. 25, (1980), p. 271.
CHAPTER 3
Group Contribution Method

Functional Groups
Overview
The tables in this chapter list the groups for each of the group
contribution methods available in the Aspen Physical Property
System.
The tables are:
PCES Functional Groups
UNIFAC Functional Groups
PCES Functional Groups

Tables 3.1 through 3.11A list the functional groups for the methods
used in the Property Constant Estimation System (PCES). There
are two types of functional groups:
Group increments, such as CH 3 or COO3

Corrections, such as the correction for the presence of a
benzene ring
You must identify both kinds of functional groups for any method
used. Identify group increments to account for all the atoms in a
molecule. Then identify any corrections to be applied.
The group definitions for most methods are obtained from Reid
et al., The Properties of Gases and Liquids, 3rd and 4th editions,
McGraw-Hill, 1977 and 1987. Groups for the Bondi Method are
adapted from A. Bondi, Physical Properties of Molecular Liquids,
Wiley, 1968. Groups for the Ogata-Tsuchida method are from Reid
and Sherwood, The Properties of Gases and Liquids, 2nd edition,
Group Contribution Method Functional Groups 3-1
McGraw-Hill, 1966. Slight modifications have been made to the

group definitions for the Fedors and Parachor methods.
Table 3.1 Ambrose
Method Functional
Groups
Functional Group
Group Number
Carbon Atoms in Alkyl Groups
100
Corrections:
>CH- (each)
>C<(each)
Double Bonds (nonaromatic)
Triple Bonds
Delta Platt Number 2
101
102
103
104
105
Aliphatic Functional Groups
-O>C=O
O=CH- (aldehyde)
-COOH (acid)
-CO-O-CO- (anhydride)
-COO- (ester)
-NO2
-NH2
>NH
>N-CN
-S-SH
-SIH3
-O-SI(CH3)2
-F
-CL
-BR
-I
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
Halogen Corrections in Aliphatic

Compounds
-F is present
-F is absent, but -CL, -BR, -I are present
Aliphatic alcohols3, -OH3
3-2 Group Contribution Method Functional Groups
125
126
127
Ring Compound Increments (listed only

when different from aliphatic values)
>CH2
>CH- (in fused ring)
Double Bond
-O>NH
-S-
128
129
130
131
132
133
Aromatic Compounds
Benzene
Pyridine
C4H4 (fused as in Naphthalene)
-F
-CL
-BR
-I
-OH
Corrections for nonhalogenated substitutions
First substitution
Each subsequent
Ortho pairs containing -OH
Ortho pairs with no -OH
134
135
136
137
138
139
140
141
142
143
144
145
Highly Fluorinated Aliphatic Compounds
-CF3, >CF2, >CF>CF2, >CF- (RING)

>CF- (in fused ring)
-H (monosubstitution)
Double bond (nonring)
Double bond (ring)
146
147
148
149
150
151
Compound Containing Only
Halogen
152
Silicon
>SI<
>SIH-SI-O-SI-O-(ring)
153
154
155
156
Table 3.2 Benson

Method Functional
Groups
Functional Group
Group Number
Hydrocarbon Groups
C-(C)(H)3
C-(C)2(H)2
C-(C)3(H)
C-(C)4
CD-(H)2 4
CD-(C)(H)
CD-(C)2
CD-(CD)(H)
CD-(CD)(C)
CD-(CD)2
CD-(CB)(H)
CD-(CB)(C)
CD-(CB)2
CD-(CT)(H)
CD-(CT)(C)
C-(CD)(H)3
C-(CD)2(H)2
C-(CD)(C)(H)2
C-(CD)(C)3
C-(CD)(C)(H)2
C-(CD)(C)2(H)
C-(CD)2(C)(H)
C-(CT)(H)3
C-(CT)(C)(H)2
C-(CT)(C)2(H)
C-(CT)(C)3
C-(CB)(H)3
C-(CB)(C)(H)2
C-(CB)(C)2(H)
C-(CB)(C)3
C-(CB)2(C)(H)
C-(CB)2(C)2
C-(CB)(CD)(H)2
CT-(H) 5
CT-(C)
CT-(CD)
CT-(CB)
CB-(H) 6
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
402
125
126
127
128
129
130
131
132
133
134
135
136
Functional Group
Group Number
Hydrocarbon Groups
CB-(C)
CB-(CD)
CB-(CT)
CB-(CB)
CA 7
CBF-(CB)2(CBF)
CBF-(CB)(CBF)2
CBF-(CBF)3
137
138
139
140
141
142
143
144
Next-Nearest-Neighbor Correction
Alkane Gauche
Alkene Gauche
Cis
Ortho
145
146
147
148
Corrections for Ring Compounds
Cyclopropane
Cyclopropene
Cyclobutane
Cyclobutene
Cyclopentane
Cyclopentene
Cyclopentadiene
Cyclohexane
Cyclohexene
Cycloheptane
Cyclooctane
Naphthalene
149
150
151
152
153
154
155
156
157
158
159
160
Oxygen-Containing Compounds
CO-(CO)(H)
CO-(CO)(C)
CO-(O)(CD)
CO-(O)(CB)
CO-(O)(C)
CO-(O)(H)
CO-(CD)(H)
CO-(CB)2
CO-(CB)(C)
CO-(CB)(H)
161
162
163
164
165
166
167
168
169
170
Functional Group
Group Number
CO-(C)2
CO-(C)(H)
CO-(H)2
O-(CB)(CO)
O-(CO)2
O-(CO)(O)
O-(CO)(CD)
O-(CO)(C)
O-(CO)(H)
O-(O)(C)
O-(O)2
O-(O)(H)
O-(CD)2
O-(CD)(C)
O-(CD)(H)
O-(CB)2
O-(CB)(C)
O-(CB)(H)
O-(C)2
O-(C)(H)
CD-(CO)(O)
CD-(CO)(C)
CD-(CO)(H)
CD-(O)(CD)
CD-(O)(C)
CD-(O)(H)
CB-(CO)
CB-(O)
C-(CO)2(H)2
C-(CO)(C)2(H)
C-(CO)(C)(H)2
C-(CO)(C)3
C-(CO)(H)3
C-(O)2(C)2
C-(O)2(C)(H)
C-(O)2(H)2
C-(O)(CB)(H)2
C-(O)(CB)(C)(H)
171
172
173
174
175
176
177
178
179
180
181
182
183
184
401
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
Functional Group
Group Number
C-(O)(CD)(H)2
C-(O)(C)3
C-(O)(C)2(H)
C-(O)(C)(H)2
C-(O)(H)3
C-(O)(CT)(H)2
C-(O)(C)2(CT)
208
209
210
211
212
403
404
Strain and Ring Corrections for OxygenContaining Compounds
Ether Oxygen, Gauche

Ditertiary Ethers
Ethylene Oxide
Trimethylene Oxide
Tetrahydrofuran
Tetrahydropyran
1,3-Dioxane
1,4-Dioxane
1,3,5-Trioxane
Furan
Dihydropyran
Cyclopentanone
Cyclohexanone
Succinic Anhydride
Glutaric Anhydride
Maleic Anhydride
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
Nitrogen-Containing Compounds
C-(N)(H)3
C-(N)(C)(H)2
C-(N)(C)2(H)
C-(N)(C)3
N-(C)(H)2
N-(C)2(H)
N-(C)3
N-(N)(H)2
N-(N)(C)(H)
N-(N)(C)2
N-(N)(CB)(H)
NI-(H) 9
229
230
231
232
233
234
235
236
237
238
239
240
Functional Group
Group Number
NI-(C)
NI-(CB)
NA-(H) 10
NA-(C)
N-CB)(H)2
N-(CB)(C)(H)
N-(CB)(C)2
N-(CB)2(H)
CB-(N)
NA-(N)
CO-(N)(H)
CO-(N)(C)
N-(CO)(H)2
N-(CO)(C)(H)
N-(CO)(C)2
N-(CO)(CB)(H)
N-(CO)2(H)
N-(CO)2(C)
N-(CO)2(CB)
C-(CN)(C)(H)2
C-(CN)(C)2(H)
C-(CN)(C)3
C-(CN)2(C)2
CD-(CN)(H)
CD-(CN)(C)
CD-(CN)2
CD-(NO2)(H)
CB-(CN)
CT-(CN)
C-(NO2)(C)(H)2
C-(NO2)(C)2(H)
C-(NO2)(C)3
C-(NO2)2(C)(H)
O-(NO)(C)
O-(NO2)(C)
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
Functional Group
Group Number
Ring Corrections for Nitrogen-Containing

Compounds
Ethyleneimine
Azetidine
Pyrrolidine
Piperidine
Succinimide
276
277
278
279
280
Halogen Groups
C-(F)3(C)
C-(F)2(H)(C)
C-(F)(H)2(C)
C-(F)2(C)2
C-(F)(H)(C)2
C-(F)(C)3
C-(F)2(CL)(C)
C-(CL(3(C)
C-(CL)2(H)(C)
C-(CL)(H)2(C)
C-(CL)2(C)2
C-(CL)(H)(C)2
C-(CL)(C)3
C-(BR)3(C)
C-(BR)(H)2(C)
C-(BR)(H)(C)2
C-(BR)(C)3
C-(I)(H)2(C)
C-(I)(H)(C)2
C-(I)(C)(CD)(H)
C-(I)(CD)(H)2
C-(I)(C)3
C-(CL)(BR)(H)(C)
N-(F)2(C)
C-(CL)(C)(O)(H)
C-(I)2(C)(H)
C-(I)(O)(H)2
CD-(F)2
CD-(CL)2
CD-(BR)2
CD-(F)(CL)
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
Functional Group
Group Number
Halogen Groups
CD-(F)(BR)
CD-(CL)(BR)
CD-(F)(H)
CD-(CL)(H)
CD-(BR)(H)
CD-(I)(H)
CD-(C)(CL)
CD-(C)(I)
CD-(CD)(CL)
CD-(CD)(I)
CT-(CL)
CT-(BR)
CT-(I)
CB-(F)
CB-(CL)
CB-(BR)
CB-(I)
C-(CB)(F)3
C-(CB)(BR)(H)2
C-(CB)(I)(H)2
C-(CL)2(CO)(H)
C-(CL)3(CO)
CO-(CL)(C)
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
Corrections for Next-Nearest-Neighbor

Halogen Compounds
Ortho (F)(F)
Ortho (CL)(CL)
Ortho (alkane)(halogen) 11
Cis (halogen)(halogen) 11
Cis (alkane)(halogen) 11
335
336
337
338
339
Organosulfur Groups
C-(H)3(S)
C-(C)(H)2(S)
C-(C)2(H)(S)
C-(C)3(S)
C-(CB)(H)2(S)
C-(CD)(H)2(S)
CB-(S)
340
341
342
343
344
345
346
Functional Group
Group Number
Organosulfur Groups
CD-(H)(S)
CD-(C)(S)
S-(C)(H)
S-(CB)(H)
S-(C)2
S-(C)(CD)
S-(CD)2
S-(CB)(C)
S-(CB)2
S-(S)(C)
S-(S)(CB)
S-(S)2
C-(SO)(H)3
C-(C)(SO)(H)2
C-(C)3(SO)
C-(CD)(SO)(H)2
CB-(SO)
SO-(C)2
SO-(CB)2
C-(SO2)(H)3
C-(C)(SO2)(H)2
C-(C)2(SO2)(H)
C-(C)3(SO2)
C-(CD)(SO2)(H)2
C-(CB)(SO2)(H)2
CB-(SO2)
CD-(H)(SO2)
CD-(C)(SO2)
SO2-(CD)(CB)
SO2-(CD)2
SO2-(C)2
SO2-(C)(CB)
SO2-(CB)2
SO2-(SO2)(CB)
CO-(S)(C)
S-(H)(CO)
C-(S)(F)3
CS-(N)2
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
Functional Group
Group Number
Organosulfur Groups
N-(CS)(H)2
S-(S)(N)
N-(S)(C)2
SO-(N)2
N-(SO)(C)2
SO2-(N)2
N-(SO2)(C)2
385
386
387
388
389
390
391
Ring Corrections for Sulfur-Containing

Compounds
Thiirane
Trimethylene Sulfide
Tetrahydrothiophene
Thiacyclohexane
Thiacycloheptane
3-Thiocyclopentene
2-Thiocyclopentene
Thiophene
392
393
394
395
396
397
398
399
Symmetry and Optical Isomers

12
Corrections
Symmetry
Optical Isomers
405
406
Other
Ortho or Para Substitution on Pyridine

O-(CD)(H)
C-(CT)(C)3
C-(O)(CT)(H)2
C-(O)(C)2(CT)
400
401
402
403
404
Silicon Groups
SI-(C)(H)3
SI-(C)2(H)2
SI-(C)3(H)
SI-(C)4
SI-(SI)(H)3
SI-(SI)2(H)2
SI-(SI)2(C)2
SI-(SI)(C)3
SI-(SI)4
C-(SI)(C)(H)2
407
408
409
410
411
412
413
414
415
416
Functional Group
Group Number
Silicon Groups
C-(SI)(C)2(H)
C-(SI)(H)3
SI-(C)(CL)3
SI-(C)2(CL)2
SI-(C)3(CL)
SI-(C)(F)3
SI-(C)3(BR)
SI-(C)3(I)
SI-(C)(H)(CL)2
SI-(C)2(H)(CL)
SI-(O)(F)3
SI-(O)3(CL)
SI-(SI)(F)3
SI-(SI)2(F)2
SI-(SI)(CL)3
SI-(SI)(O)3
SI-(O)3(H)
SI-(C)(O)3
SI-(C)2(O)2
SI-(C)3(O)
SI-(O)4
O-(SI)(O)
O-(SI)2
O-(SI)(C)
O-(SI)(H)
SI-(SI)(C)(O)2
C-(SI)(O)(H)2
SI-(CB)4
SI-(CB)2(CL)2
SI-(CB)(O)3
SI-(CB)2(C)(H)
CB-(SI)
O-(SI)(CB)
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
Boron Groups
B-(C)3
C-(B)(C)(H)2
C-(B)(C)2(H)
C-(B)(H)3
450
451
452
453
Functional Group
Group Number
Boron Groups
B-(CB)3
CB-(B)
B-(O)3
B-(O)2(H)
B-(O)(H)2
B-(B)(O)2
O-(B)(C)
O-(B)(H)
O-(B)(CB)
O-(B)(O)
B-(C)2(O)
B-(CB)(O)2
B-(S)3
S-(B)(C)
S-(B)(CB)
B-(N)3
B-(C)2(N)
B-(C)(N)(O)
N-(B)(C)2
N-(B)(C)(H)
B-(O)(F)2
B-(O)2(F)
B-(B)(F)2
B-(C)(F)2
B-(N)2(CL)
B-(N)(CL)2
B-(B)(CL)2
B-(O)2(CL)
B-(O)(CL)2
B-(C)2(CL)
B-(CB)2(CL)
B-(CB)(CL)2
B-(C)2(BR)
B-(CB)2(BR)
B-(CB)(BR)2
B-(C)2(I)
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
Functional Group
Group Number
Aluminum Groups
AL-(C)3
C-(AL)(C)(H)2
AL-(C)2(H)
C-(AL)(H)3
AL-(AL)(CL)2
490
491
492
494
495
Silicon in Ring Correction
Table 3.2A
BensonR8 Method
Functional Groups
SI (ring-4)
SI (ring-5)
496
497
Functional Group
Group Number
Hydrocarbon Groups
C-(C)(H)3
C-(C)2(H)2
C-(C)3(H)
C-(C)4
CD-(H)2 4
CD-(C)(H)
CD-(C)2
CD-(CD)(H)
CD-(CD)(C)
CD-(CD)2
CD-(CB)(H)
CD-(CB)(C)
CD-(CB)2
CD-(CT)(H)
CD-(CT)(C)
C-(CD)(H)3
C-(CD)2(H)2
C-(CD)(C)(H)2
C-(CD)(C)3
C-(CD)(C)(H)2
C-(CD)(C)2(H)
C-(CD)2(C)(H)
C-(CT)(H)3
C-(CT)(C)(H)2
C-(CT)(C)2(H)
C-(CT)(C)3
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
402
Functional Group
Group Number
Hydrocarbon Groups
C-(CB)(H)3
C-(CB)(C)(H)2
C-(CB)(C)2(H)
C-(CB)(C)3
C-(CB)2(C)(H)
C-(CB)2(C)2
C-(CB)(CD)(H)2
CT-(H) 5
CT-(C)
CT-(CD)
CT-(CB)
CB-(H) 6
CB-(C)
CB-(CD)
CB-(CT)
CB-(CB)
CA 7
CBF-(CB)2(CBF)
CBF-(CB)(CBF)2
CBF-(CBF)3
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
Next-Nearest-Neighbor Correction
Alkane Gauche
Alkene Gauche
Cis
Ortho
145
146
147
148
Cyclopropane
Cyclopropene
Cyclobutane
Cyclobutene
Cyclopentane
Cyclopentene
Cyclopentadiene
Cyclohexane
Cyclohexene
Cycloheptane
Cyclooctane
Naphthalene
149
150
151
152
153
154
155
156
157
158
159
160
Functional Group
Group Number
CO-(CO)(H)
CO-(CO)(C)
CO-(O)(CD)
CO-(O)(CB)
CO-(O)(C)
CO-(O)(H)
CO-(CD)(H)
CO-(CB)2
CO-(CB)(C)
CO-(CB)(H)
CO-(C)2
CO-(C)(H)
CO-(H)2
O-(CB)(CO)
O-(CO)2
O-(CO)(O)
O-(CO)(CD)
O-(CO)(C)
O-(CO)(H)
O-(O)(C)
O-(O)2
O-(O)(H)
O-(CD)2
O-(CD)(C)
O-(CD)(H)
O-(CB)2
O-(CB)(C)
O-(CB)(H)
O-(C)2
O-(C)(H)
CD-(CO)(O)
CD-(CO)(C)
CD-(CO)(H)
CD-(O)(CD)
CD-(O)(C)
CD-(O)(H)
CB-(CO)
CB-(O)
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
401
185
186
187
188
189
190
191
192
193
194
195
196
197
Functional Group
Group Number
C-(CO)2(H)2
C-(CO)(C)2(H)
C-(CO)(C)(H)2
C-(CO)(C)3
C-(CO)(H)3
C-(O)2(C)2
C-(O)2(C)(H)
C-(O)2(H)2
C-(O)(CB)(H)2
C-(O)(CB)(C)(H)
C-(O)(CD)(H)2
C-(O)(C)3
C-(O)(C)2(H)
C-(O)(C)(H)2
C-(O)(H)3
C-(O)(CT)(H)2
C-(O)(C)2(CT)
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
403
404
Ether Oxygen, Gauche

Ditertiary Ethers
Ethylene Oxide
Trimethylene Oxide
Tetrahydrofuran
Tetrahydropyran
1,3-Dioxane
1,4-Dioxane
1,3,5-Trioxane
Furan
Dihydropyran
Cyclopentanone
Cyclohexanone
Succinic Anhydride
Glutaric Anhydride
Maleic Anhydride
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
Functional Group
Group Number
C-(N)(H)3
C-(N)(C)(H)2
C-(N)(C)2(H)
C-(N)(C)3
N-(C)(H)2
N-(C)2(H)
N-(C)3
N-(N)(H)2
N-(N)(C)(H)
N-(N)(C)2
N-(N)(CB)(H)
NI-(H) 9
NI-(C)
NI-(CB)
NA-(H) 10
NA-(C)
N-CB)(H)2
N-(CB)(C)(H)
N-(CB)(C)2
N-(CB)2(H)
CB-(N)
NA-(N)
CO-(N)(H)
CO-(N)(C)
N-(CO)(H)2
N-(CO)(C)(H)
N-(CO)(C)2
N-(CO)(CB)(H)
N-(CO)2(H)
N-(CO)2(C)
N-(CO)2(CB)
C-(CN)(C)(H)2
C-(CN)(C)2(H)
C-(CN)(C)3
C-(CN)2(C)2
CD-(CN)(H)
CD-(CN)(C)
CD-(CN)2
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
Functional Group
Group Number
CD-(NO2)(H)
CB-(CN)
CT-(CN)
C-(NO2)(C)(H)2
C-(NO2)(C)2(H)
C-(NO2)(C)3
C-(NO2)2(C)(H)
O-(NO)(C)
O-(NO2)(C)
267
268
269
270
271
272
273
274
275

Compounds
Ethyleneimine
Azetidine
Pyrrolidine
Piperidine
Succinimide
276
277
278
279
280
Halogen Groups
C-(F)3(C)
C-(F)2(H)(C)
C-(F)(H)2(C)
C-(F)2(C)2
C-(F)(H)(C)2
C-(F)(C)3
C-(F)2(CL)(C)
C-(CL(3(C)
C-(CL)2(H)(C)
C-(CL)(H)2(C)
C-(CL)2(C)2
C-(CL)(H)(C)2
C-(CL)(C)3
C-(BR)3(C)
C-(BR)(H)2(C)
C-(BR)(H)(C)2
C-(BR)(C)3
C-(I)(H)2(C)
C-(I)(H)(C)2
C-(I)(C)(CD)(H)
C-(I)(CD)(H)2
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
Functional Group
Group Number
Halogen Groups
C-(I)(C)3
C-(CL)(BR)(H)(C)
N-(F)2(C)
C-(CL)(C)(O)(H)
C-(I)2(C)(H)
C-(I)(O)(H)2
CD-(F)2
CD-(CL)2
CD-(BR)2
CD-(F)(CL)
CD-(F)(BR)
CD-(CL)(BR)
CD-(F)(H)
CD-(CL)(H)
CD-(BR)(H)
CD-(I)(H)
CD-(C)(CL)
CD-(C)(I)
CD-(CD)(CL)
CD-(CD)(I)
CT-(CL)
CT-(BR)
CT-(I)
CB-(F)
CB-(CL)
CB-(BR)
CB-(I)
C-(CB)(F)3
C-(CB)(BR)(H)2
C-(CB)(I)(H)2
C-(CL)2(CO)(H)
C-(CL)3(CO)
CO-(CL)(C)
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
Functional Group
Group Number
Corrections for Next-Nearest-Neighbor

Halogen Compounds
Ortho (F)(F)
Ortho (CL)(CL)
Ortho (alkane)(halogen) 11
Cis (halogen)(halogen) 11
Cis (alkane)(halogen) 11
335
336
337
338
339
Organosulfur Groups
C-(H)3(S)
C-(C)(H)2(S)
C-(C)2(H)(S)
C-(C)3(S)
C-(CB)(H)2(S)
C-(CD)(H)2(S)
CB-(S)
CD-(H)(S)
CD-(C)(S)
S-(C)(H)
S-(CB)(H)
S-(C)2
S-(C)(CD)
S-(CD)2
S-(CB)(C)
S-(CB)2
S-(S)(C)
S-(S)(CB)
S-(S)2
C-(SO)(H)3
C-(C)(SO)(H)2
C-(C)3(SO)
C-(CD)(SO)(H)2
CB-(SO)
SO-(C)2
SO-(CB)2
C-(SO2)(H)3
C-(C)(SO2)(H)2
C-(C)2(SO2)(H)
C-(C)3(SO2)
C-(CD)(SO2)(H)2
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
Functional Group
Group Number
Organosulfur Groups
C-(CB)(SO2)(H)2
CB-(SO2)
CD-(H)(SO2)
CD-(C)(SO2)
SO2-(CD)(CB)
SO2-(CD)2
SO2-(C)2
SO2-(C)(CB)
SO2-(CB)2
SO2-(SO2)(CB)
CO-(S)(C)
S-(H)(CO)
C-(S)(F)3
CS-(N)2
N-(CS)(H)2
S-(S)(N)
N-(S)(C)2
SO-(N)2
N-(SO)(C)2
SO2-(N)2
N-(SO2)(C)2
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391

Compounds
Thiirane
Tetrahydrothiophene
Thiacyclohexane
Thiacycloheptane
3-Thiocyclopentene
2-Thiocyclopentene
Thiophene
392
393
394
395
396
397
398
399
Symmetry and Optical Isomers

12
Corrections
Symmetry
Optical Isomers
405
406
Functional Group
Group Number
Other
Table 3.3 Bondi

Method Functional
Groups
Ortho or Para Substitution on Pyridine

O-(CD)(H)
C-(CT)(C)3
C-(O)(CT)(H)2
C-(O)(C)2(CT)
SYMMETRY
OPTICAL-ISOMER
400
401
402
403
404
405
406
Functional Group
Group Number
Carbon Increments
-CH3
>CH2
>CH>C<
=CH2
=CH=C<
=C= (allene)
CH
C-C (diacetylene)
=CH- (aromatic)
=C<(aromatic, aliphatic)
=C<(aromatic)
Naphthyl
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
Nitrogen Increments
-NH2
>NH
>N=N-CN
-NO2
115
116
117
118
119
120
Oxygen Increments
-O- (aliphatic)
-O- (aromatic)
-OH
>C=O
121
122
123
124
Functional Group
Group Number
Oxygen Increments
O=CH- (aldehyde)
-COO- (ester)
125
126
Sulfur Increments
-S- (aliphatic)
-S- (hetero, aromatic)
2-Thiophenyl
3-Thiophenyl
-S-S- (aliphatic)
-SH
>S=O (aliphatic)
>SO2 (aliphatic)
-O-SO2-O- (aliphatic)
127
128
129
130
131
132
133
134
135
Halogen Increments
-F (aliphatic) 13
-F (aromatic)
-F (other)
-CL (aliphatic) 13
-CL (aromatic, per)
-CL (aromatic, mono, di, tri)
-CL (other)
-BR (aliphatic) 13
-BR (aromatic)
-BR (other)
-I (aliphatic) 13
-I (aromatic)
-I (other)
136
137
138
139
140
141
142
143
144
145
146
147
148
Corrections for Intramolecular Effects
Single bond between conjugated double bonds

Single bond adjacent to carboxyl group (>C=O)
Single bond adjacent to amide group (=NH)
Cyclopropyl ring in single bond attachment
Cyclopentyl or cyclohexyl ring in single bond
attachment
Methylene ring condensed to aromatic ring
system as in tetralin
Dioxane ring
149
150
151
152
153
154
155
Table 3.3A Ducros

Method Functional
Groups
Functional Group
Group Number
Hydrocarbon Groups
C-(C)(H)3
C-(C)2(H)2
C-(C)3(H)
C-(C)4
CD-(H)2
CD-(C)(H)
CD-(C)2
CD-(CD)(H)
CD-(CD)(C)
CD-(CD)2
C-(CD)(H)3
C-(CD)2(H)2
C-(CD)(C)3
C-(CD)(C)(H)2
C-(CD)(C)2(H)
C-(CT)(H)3
C-(CT)(C)(H)2
C-(CT)(C)2(H)
C-(CB)(H)3
C-(CB)(C)(H)2
C-(CB)(C)2(H)
C-(CB)(C)3
C-(CB)(CH3)(H)2
C-(CB)(CH2CH3)(H
C-(CB)(CH3)2(H)
C-(CB)(CH3)(CH2C
CT-(H)
CT-(C)
CB-(H)
CB-(C)
100
101
102
103
104
105
106
107
108
109
115
116
118
119
120
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
Benzene Substitution
ORTHO
META
145
146
Cyclopentane
Cyclopentene
Cyclopentadiene
Cyclohexane
147
148
149
150
Functional Group
Group Number
Cyclohexene
Cyclohexadiene
151
152
CO-(O)(C)
CO-(C)(H)
O-(CO)(C)
O-(CO)(H)
C-(CO)(C)2(H)
C-(CO)(C)(H)2
C-(CO)(C)3
C-(CO)(H)3
C-(O)2(C)2
C-(O)2(C)(H)
C-(O)2(H)2
C-(O)(C)3
C-(O)(C)2(H)
C-(O)(C)(H)2
C-(O)(H)3
O-(C)(H)
O-(CO)(C)
O-(C)2 (nonring)
CO-(C)2
O-(C)2 (ring)
165
172
178
179
199
200
01
202
203
204
205
209
210
211
212
400
402
403
421
445
Corrections for Next-Nearest-Neighbor of

Oxygen-Containing Groups Containing
Groups
O-(C)(H) (primary)
O-(C)2 (2-alkoxyethanol)
O-(C)2 (2-alkoxyethyl acetate)
NC1 (number of primary carbons of alpha
carbons for group 403)
NC2 (number of secondary carbons of alpha
NC3 (number of third carbons of alpha carbons
for group 403)
NCALPHA(>CH-) (number of alpha carbons
with three-way branch for groups 403)
NCALPHA(>C<) (number of alpha carbons
with four-way branch for groups 403)
401
404
405
406
407
408
409
410
Functional Group
Group Number

Oxygen-Containing Groups Containing
Groups
O-(C)2 (noring structure -C-O-C-O-C-)

417
O-(C)2 (nonring structure -C-O-C-C-O-C-)
418
1,3-DIOXANE (6-member ring)
419
1,4-DIOXANE (6-member ring)
420
422
423
NC3 (number of third carbons of alpha carbons 424
for group 431)
NC4 (number of fourth carbons of alpha carbons 425
for group 421)
NCALPHA(>CH-) (number of alpha carbons 426
427
O-(C)2 (ring structure -C-O-C-O-C-)
446
O-(C)2 (ring structure -C-O-C-C-O-C-)
447
NCT (total number of carbons in compound for 448
groups 404,417,418)
NCT (total number of carbons in compound for 449
group 405)
O-(C)(H) (secondary)
450
C-(N)(H)3
C-(N)(C)(H)2
C-(N)(C)2(H)
C-(N)(C)3
C-(CN)(C)(H)2
C-(CN)(C)2(H)
C-(CN)(C)3
N-(C)3
N-(C)2(H)
N-(C)(H)2
229
230
231
232
506
507
508
428
429
432
Functional Group
Group Number

Nitrogen-Containing Groups

with three-way branch for groups 428, 429)
with four-way branch for groups 428, 429)
NC2 (number of seconadry carbons of alpha
N-(C)(H)2 (primary)
N-(C)(H)2 (secondary)
430
431
434
435
437
438
433
436
Organosulfur Groups
C-(H)3(S)
C-(C)(H)2(S)
C-(C)2(H)(S)
C-(C)3(S)
C-(C)2(H)(S)
C-(C)3(S)
S-(C)(H)
S-(C)2
S-(S)(C)
340
341
342
343
342
343
349
411
439

Organosulfur Groups

NC3 (number of third carbons of alpha carbons
for group 411)
with three-way branch for group 411)
with four-way branch for group 411)
carbon for group 439)
412
413
414
415
416
440
441
Functional Group
Group Number

Organosulfur Groups

with three-way branch for group 439)
with four-way branch for group 439)
442
451
452
Halogen Compounds
C-(C)(BR)(H)2
C-(C)2(BR)(H)
C-(C)3(BR)
C-(C)(CL)(H)2
C-(C)2(CL)(H)
C-(C)3(CL)
500
501
502
503
504
505
Silicon Groups
SI-(C)(H)3
SI-(C)2(H)2
SI-(C)3(H)
SI-(C)4
SI-(SI)(H)3
SI-(SI)2(H)2
SI-(SI)2(C)2
SI-(SI)(C)3
SI-(SI)4
C-(SI)(C)(H)2
C-(SI)(C)2(H)
C-(SI)(H)3
SI-(C)(CL)3
SI-(C)2(CL)2
SI-(C)3(CL)
SI-(C)(F)3
SI-(C)3(BR)
SI-(C)(H)(CL)2
SI-(C)2(H)(CL)
SI-(O)3(CL)
SI-(SI)(F)3
SI-(SI)2(F)2
SI-(SI)(CL)3
SI-(C)(O)3
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
Functional Group
Group Number
Silicon Groups
SI-(C)2(O)2
SI-(C)3(O)
SI-(O)4
O-(SI)2
O-(SI)(C)
O-(SI)(H)
CB-(SI)
C-(SI)2(H)2
SI-(CB)2(CL)2
625
626
627
628
629
630
631
632
633
Corrections for Silicon Ring
SI (4-member)
SI (5-member)
443
444
Boron Groups
B-(B)(N)2
B-(B)(O)2
B-(B)(CL)2
B-(B)(C)2
B-(N)3
B-(N)2(F)
B-(N)2(CL)
B-(N)2(H)
B-(N)(CL)2
B-(N)(C)2
B-(O)3
B-(O)2(CL)
B-(O)2(C)
B-(O)(CL)2
B-(O)(N)(C)
B-(O)(C)2
B-(S)3
B-(CB)(CL)2
B-(CB)(BR)2
B-(CB)2(CL)
B-(C)(CL)2
B-(C)2(CL)
B-(C)(BR)2
B-(C)2(BR)
B-(C)2(I)
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
671
672
673
674
675
Functional Group
Group Number
Boron Groups
B-(C)3
N-(B)(C)(H)
N-(B)(C)2
O-(B)(H)
O-(B)(C)
S-(B)(C)
CB-(B)
CD-(B)(H)
C-(B)(H)3
C-(B)(C)(H)2
C-(B)(C)2(H)
676
677
678
679
680
681
682
683
684
685
686
Aluminum Groups
AL-(C)2(O)
AL-(C)2(CL)
AL-(C)2H
AL-(C)3
O-(AL)(C)
C-(AL)(H)3
C-(AL)(C)(H)2
687
688
689
690
691
692
693
Gallium Groups
GA-(C)3
C-(H)3(GA)
C-(C)(H)2(GA)
694
695
696
Cadmium Groups
Cd-(C)2
C-(H)3(Cd)
C-(C)(H)2(Cd)
697
698
699
Zinc Groups
ZN-(C)2
C-(H)3(ZN)
C-(C)(H)2(ZN)
700
701
702
Mercury Groups
HG-(C)2
C-(H)3(HG)
C-(C)(H)2(HG)
C-(C)2(H)(HG)
703
704
705
706
Functional Group
Group Number
Germanium Groups
GE-(C)3(GE)
GE-(N)(C)3
GE-(O)(C)3
GE-(C)4
O-(GE)2
N-(C)2(GE)
C-(H)3(GE)
C-(C)(H)2(GE)
707
708
709
710
711
712
713
714
Tin Groups
SN-(C)3(SN)
SN-(C)3(N)
SN-(C)3(O)
SN-(C)(CL)3
SN-(C)2(CL)2
SN-(C)3(CL)
SN-(C)3(BR)
SN-(C)3(I)
SN-(C)3(CB)
SN-(C)3(CD)
SN-(CD)4
SN-(C)4
N-(SN)(C)2
O-(SN)2
CB-(SN)
CD-(H)(SN)
C-(CB)(H)2(SN)
C-(H)3(SN)
C-(C)(H)2(SN)
C-(C)2(H)(SN)
C-(C)3(SN)
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
Lead Groups
PB-(C)4
C-(H)3(PB)
C-(C)(H)2(PB)
736
737
738
Functional Group
Group Number
Phosphorus Groups
P-(C)3
C-(H)3(P)
C-(C)(H)2(P)
739
740
741
Arsenic Groups
AS-(C)3
C-(H)3(AS)
C-(C)(H)2(AS)
742
743
744
Antimony Groups
SB-(C)3
C-(H)3(SB)
C-(C)(H)2(SB)
745
746
747
Bismuth Groups
Table 3.4 Fedors

Method Functional
Groups
BI-(C)3
C-(H)3(BI)
C-(C)(H)2(BI)
748
749
750
Functional Group
Group Number
Carbon Increments
-CH3
>CH2
>CH 14
>C<
=CH2
=CH=C<
=C=
CH
100
101
102
103
104
105
106
107
108
C-
109
Oxygen Increments
-
COOH (acid)
-CO-O-CO- (anhydride)
-COO- (ester)
-O-OC-CO-O- (oxalate)
>C=O
-O-O- (aromatic)
110
111
112
113
114
115
116
Functional Group
Group Number
Oxygen Increments
-OH (alcohols)
-OH (aromatic)
O=CH- (aldehyde)
117
118
119
Nitrogen Increments
-NH2
-NH2 (aromatic)
>NH
>NH (aromatic)
>N>N- (aromatic)
-N=
-CN
-CN (aromatic)
120
121
122
123
124
125
126
127
128
Sulfur Increments
-SH
-S-S-S-
129
130
131
Halogen Increments
-F 15
-F (disubstituted)
-F (trisubstituted)
-F (aromatic)
-F (perfluoro)
-CL
-CL (disubstituted)
-CL (trisubstituted)
-BR
-I
-I (aromatic)
132
133
134
135
136
137
138
139
140
141
142
3-Member
4-Member
5-Member
6-Member
Heteroatom in the ring
Substitution on carbon in a double bond
(nonaromatic)
143
144
145
146
147
148
Functional Group
Group Number
Orthosubstitution in a benzene ring

Ring-Ring attached
149
150
Other corrections
Conjugation, per double bond
151
Other Increments
Adjacent pairs of >CH-F (C=C)
152
153
Silicon
>SI<
>SI< (Siloxane)
>SI< (Siloxane, ring)
Table 3.4A Gani

Method Functional
Groups
154
155
156
The First-Order Groups
Functional Group
Group Number
Nonring Increments
-CH3
>CH2
>CH>C<
-CH=CH2
-CH=CH>C=CH2
-CH=C<
>C=C<
CH2=C=CH
-C#CH (alkine)
-C#C (alkine)
1015
1010
1005
1000
1070
1065
1060
1055
1050
4995
2655
2650
Benzene Ring Increments
-ACH=
>AC=
CH3-AC
-CH2-AC
>CH-AC
1105
1100
1160
1155
1150
Functional Group
Group Number
Oxygen Increments
-OH (alcohol)
HO-AC (phenol)
CH3-CO-(C)
-CH2-CO-(C)
O=CH- (aldehyde)
CH3-COO-(C) (ester)
-CH2-COO-(C) (ester)
HCOO-(C) (formate)
CH3-O-(C) (nonring)
-CH2-O-(C) (nonring)
>CH-O-(C) (nonring)
-CH2-O-(C) (ring)
-COOH (acid)
-COO- (ester)
-OC2H3OH-O(CH2)2OH
1200
1350
1405
1400
1450
1505
1500
1550
1615
1610
1605
1600
1955
3300
3605
3600
Nitrogen Increments
-CH2-NH2
>CH-NH2
CH3-NH-CH2-NH>CH-NHCH3-N<
-CH2-N<
NH2-AC (benzene ring)
C5H4N- (pyridine ring)
C5H3N< (pyridine ring)
-CH2-C#N (nitrile)
-CH2-NO2
>CH-NO2
NO2-AC (benzene ring)
-CONH2
-CONHCH3
-CONHCH2-CON(CH3)2
-CONCH3CH2-CON(CH2)2<
HCON(CH2)2
1655
1650
1710
1705
1700
1755
1750
1800
1855
1850
1900
2255
2250
2300
3550
3555
3560
3565
3570
3575
4996
Functional Group
Group Number
Halogen Increments
-CH2-CL
>CH-CL
->C-CL
-CH<CL2
>C-CL2
-CCL3
CL-AC (benzene ring)
-I
-BR
CL-(C=C)
F-AC (benzene ring)
-CF3
>CF2
>C<F
-CCL2F
-HCCLF
-CCLF2
-F (except as above)
2010
2005
2000
2055
2050
2100
2200
2550
2600
2800
2850
2960
2955
2950
3505
3515
3520
3535
Sulfur Increments
-CH2-SH
CH3S-CH2S>CHS-C4H3S
>C4H2S
2400
3650
3655
3660
3755
3760
Second-Order Groups Corrections
Functional Group
Group Number
Nonring Corrections
(CH3)2CH(CH3)3C-CH(CH3)CH(CH3)-CH(CH3)C(CH3)<
-C(CH3)2C(CH3)2CH3CH3
>C=C-C=C<
-CH=C-C=C<
CH2=C-C=C
5000
5005
5010
5015
5020
5050
5090
5095
5100
Functional Group
Group Number
Nonring Corrections
C=CH-C=C
CH=CH-C=C
CH2=CH-C=C
CH=C-C=CH
CH=C-C=CH2
CH2=C-C=CH2
CH2=CH-C=CH2
CH2=CH-C=CH
CH2=CH-CH=CH2
CH3-C=C
CH3-CH=C
CH3-CH=CH
CH3-CH=CH2
CH3-C=CH
CH3-C=CH2
CH2-C=C
CH2-CH=C
CH2-CH=CH
CH2-CH=CH2
CH2-C=CH
CH2-C=CH2
CH-C=C
CH-CH=C
CH-CH=CH
CH-CH=CH2
CH-C=CH
CH-C=CH2
C-C=C
C-CH=C
C-C=CH
C-C=CH2
C-CH=CH
C-CH=CH2
c-C-CMH2:(M>1)
5105
5110
5115
5120
5125
5130
5135
5140
5145
5150
5155
5160
5165
5170
5175
5180
5185
5190
5195
5200
5205
5210
5215
5220
5225
5230
5235
5240
5245
5250
5255
5260
5265
5310
Functional Group
Group Number
Ring Corrections
3-Member
4-Member
5-Member
6-Member
7-Member
5025
5030
5035
5040
5045
Oxygen Corrections
CHCHO
CCHO
CH3COCH2
CH3COCH
CH3COC
c-C=O
ACCHO (benzene ring)
CHCOOH
CCOOH
ACCOOH (benzene ring)
CH3COOCH
CH3COOC<COCH2COOCOCHCOO
COCCOO
CO-O-CO
ACCOO (benzene ring)
CHOH
COH
C(OH)C(OH)
CH(OH)C(OH)
CH2(OH)C(OH)
CH(OH)CH(OH)
CH2(OH)CH(OH)
CH2(OH)CH2(OH)
c-COH
c-CHOH
C-O-C=C
CH-O-C=C
CH2-O-C=C
C-O-CH=C
C-O-C=CH
5055
5060
5065
5070
5075
5080
5085
5270
5275
5280
5285
5290
5295
5300
5305
5315
5320
5325
5330
5335
5340
5345
5350
5355
5360
5365
5370
5490
5495
5500
5505
5510
Functional Group
Group Number
Oxygen Corrections
C-O-C=CH2
CH-O-CH=CH
CH-O-CH=CH2
CH-O-C=CH
CH-O-C=CH2
CH2-O-C=C
CH2-O-CH=C
CH2-O-CH=CH
CH2-O-CH=CH2
AC-O-C (benzene ring)
AC-O-CH (benzene ring)
AC-O-CH2 (benzene ring)
AC-O-CH3 (benzene ring)
5515
5520
5525
5530
5535
5440
5545
5550
5555
5560
5565
5570
5575
Nitrogen Corrections
C(OH)CN
CH(OH)-CN
CH(OH)-CNH
CH2(OH)-CN
CH(OH)-CNH
CH(OH)-CNH2
CH2(OH)-CNH
CH2(OH)-CHNH2
CH(OH)-CHNH
CH(OH)-CH2NH2
CH2(OH)-CHNH
CH2(OH)-CH2NH2
C(NH2)-C(NH2)
CH(NH2)-C(NH2)
CH2(NH2)-C(NH2)
CH(NH2)-CH(NH2)
CH(NH2)-CH2(NH2)
CH2(NH2)-CH2(NH2
c-C-N-c-C
c-CH-N-c-C
c-CH-N-c-CH
c-CH-NH-c-C
c-CH-NH-c-CH
C(NH2)-COOH
5375
5380
5385
5390
5395
5400
5405
5410
5415
5420
5425
5430
5435
5440
5445
5450
5455
5460
5465
5470
5475
5480
5485
5705
Functional Group
Group Number
Nitrogen Corrections
CH(NH2)-COOH
CH2(NH2)-COOH
5710
5715
Sulfur Corrections
c-C-S-c-C
c-CH-S-c-C
c-CH2-S-c-C
c-CH2-S-c-CH
c-CH2-S-c-CH2
5580
5585
5590
5595
5600
Halogen Corrections
Table 3.5 Joback

Method Functional
Groups
C=CF
CH=CF
CH2=CF
C=CHF
CH=CHF
CH2=CHF
C=CBr
CH=CBr
CH2=CBr
C=CHBr
CH=CHBr
CH2=CHBr
C=CI
CH=CI
CH2=CI
C=CHI
CH=CHI
CH2=CHI
ACBr (benzene ring)
ACI (benzene ring)
5605
5610
5615
5620
5625
5630
5635
5640
5645
5650
5655
5660
5665
5670
5675
5680
5685
5690
5695
5700
Functional Group
Group Number
Nonring Increments
-
CH3
>CH2
>CH>C<
=CH2
100
101
102
103
104
Functional Group
Group Number
Nonring Increments
=CH=C<
=C=
CH
C-
105
106
107
108
109
Ring Increments
>CH2
>CH>C<
=CH=C<
110
111
112
113
114
Halogen Increments
-F-CL
-BR
-I
115
116
117
118
Oxygen Increments
-OH (alcohols)
-OH (phenols)
-O- (nonring)
-O- (ring)
>C=O (nonring)
>C=O (ring)
O=CH- (aldehyde)
-COOH (acid)
-COO- (ester)
=O (except as above)
119
120
121
122
123
124
125
126
127
128
Nitrogen Increments
-NH2
>NH (nonring
>NH (ring)
>N- (nonring)
-CN
-NO2
-N= (nonring)
-N= (ring)
=NH
16
129
130
131
132
133
134
135
136
137
Functional Group
Group Number
Sulfur Increments
Table 3.6 Le Bas

Method Functional
Groups
-SH
-S- (nonring)
-S- (ring)
138
139
140
Functional Group
Group Number
Carbon
Hydrogen
Oxygen (except as follows)
In methyl esters and ethers
In ethyl esters and ethers
In higher esters and ethers
In acids
Joined to S, or N
=NH, =N-NH2
>NH
-F
-CL
-BR
-I
S
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
Table 3.6A Li-Ma

Method Functional
Groups
3-Member
4-Member
5-Member
6-Member
Naphthalene
Anthracene
116
117
118
119
120
121
Functional Group
Group Number
Sulfur Increments
>SO4
>SO3
-SO2CL
-CSO>S=O
-N=C=S
100
101
102
103
104
105
Functional Group
Group Number
Sulfur Increments
-S-S-S- (ring)
-S- (connect benzene ring)
-S- (connect ring)
-S- (nonring)
-SH (connect benzene ring)
-SH (connect ring)
-SH
106
107
108
109
110
111
112
113
Nitrogen Increments
-NO2 (connect benzene ring)

-N=C=O (connect benzene ring)
-NO3
-NO2
=N-OH
>N-N=O
-HN-CHO
>N-CHO
-CO-NH2
-CO-N<
>N-OH
-O-NH-NH-NH2
>N-NH2
-NH-NH>N-NH-C#N (connect ring)
-C#N
=N- (naphthalene ring)
=N- (benzene ring)
-NH- (ring)
>N- (ring)
-NH2 (connect benzene ring)
-NH- (connect benzene ring)
>N- (connect benzene ring)
-NH2 (connect ring)
-NH- (connect ring)
-NH2
-NH-
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
Functional Group
Group Number
Nitrogen Increments
>N-
143
Oxygen Increments
-COOH (acid)
-COO- (carbon atom connects benzene ring)
-COO- (oxygen atom connects benzene ring)
-COO- (carbon atom connects ring)
-COO- (carbon atom connects ring)
-COO- (ester)
HCOO- (formate)
>C=O (connect benzene ring)
>C=O (ring)
>C=O (nonring)
-CHO (connect benzene ring)
-CHO
-O- (ring)
-O- (connect benzene ring)
-O- (nonring)
-OH (connect naphthalene ring)
-OH (connect benzene ring)
-OH (connect ring)
-OH
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
Halogen Increments
=CF- (benzene ring)

=CCL- (benzene ring)
=CBR- (benzene ring)
=CI- (benzene ring)
=CFCL
=CF2
=CF=CCL2
=CCL=CHCL
=CHBR
-CF2- (ring)
>CF- (ring)
-CFH- (ring)
-CHCL- (ring)
-CHBR- (ring)
165
166
167
168
175
176
177
178
179
180
181
188
189
190
191
192
Functional Group
Group Number
Halogen Increments
-CHI- (ring)
-BR (connect naphthalene ring)
-CF3 (connect benzene ring)
-CF3 (connect ring)
-CF2- (connect ring)
-CF2CL
-CFCL2
-CHFCL
-CFCL-CF2BR
-CHCLBR
-CF3
-CF2>CF-CHF2
-CH2F
-CCL3
>CCL-CHCL2
-CH2CL
-CHCL>CBR-CHBR2
-CH2BR
-CHBR>CI-CH2I
-CHI-
193
197
198
199
200
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
Nonring Increments
#CH
#C=CH- (connect benzene ring)
=CH- (connect ring)
=C=
=CH2
=CH=C<
-CH3 (connect naphthalene ring)
163
164
182
183
184
185
186
187
201
Functional Group
Group Number
Nonring Increments
-CH2- (connect naphthalene ring)

-CH3 (connect benzene ring)
-CH2- (connect benzene ring)
>CH- (connect benzene ring)
>C< (connect benzene ring)
-CH3 (connect ring)
-CH2- (connect ring)
>CH- (connect ring)
>C< (connect ring)
-CH3
-CH2>CH>C<
202
203
204
205
206
207
208
209
210
234
235
236
237
Ring Increments
Table 3.7 Lydersen

Method Functional
Groups
=CH- (naphthalene ring)

=C< (naphthalene ring)
=CH- (benzene ring)
=C< (benzene ring)
=CH- (ring)
=C< (ring)
-CH2- (ring)
>CH- (ring)
>C< (ring)
169
170
171
172
173
174
194
195
196
Functional Group
Group Number
Nonring Increments
-CH3
>CH2
>CH>C<
=CH2
=CH=C<
=C=
CH
C-
100
101
102
103
104
105
106
107
108
109
Functional Group
Group Number
Ring Increments
>CH2
>CH>CH 17
>C<
=CH=C<
=C=
110
111
112
113
114
115
116
Halogen Increments
-
F-CL
-BR
-I
117
118
119
120
Oxygen Increments
-
OH (alcohols)
-OH (phenols)
-O- (nonring)
-O- (ring)
>C=O (nonring)
>C=O (ring)
O=CH- (aldehyde)
-COOH (acid)
-COO- (ester)
121
122
123
124
125
126
127
128
129
130
Nitrogen Increments
-NH2
>NH (nonring)
>NH (ring)
>N- (nonring)
>N- (ring)
-CN
-NO2
131
132
133
134
135
136
137
Sulfur Increments
-SH
-S- (nonring)
-S- (ring)
=S
138
139
140
141
Functional Group
Group Number
Other Increments
Table 3.7A Mostafa

Method Functional
Groups
>SI< 18
>B- 19
>SIH>SIH3
-SI-O-SI-O- (ring)
142
143
144
145
146
147
Cations
Group Number
Ac+3
Ag+1
Ag+2
Al+3
Am+3
Am+4
As+3
As+5
Au+1
Au+3
B+3
Ba+2
Be+2
Bi+3
Bi+5
C+4
Ca+2
Cd+2
Ce+3
Ce+4
Cl+1
Cm+3
Cm+4
Co+2
Co+3
Co+4
Cr+2
Cr+3
Cr+4
Cr+6
1001
1002
1003
1005
1007
1008
1011
1012
1017
1018
1019
1020
1022
1023
1024
1030
1031
1033
1034
1035
1039
1043
1044
1046
1047
1048
1050
1051
1052
1054
Cations
Group Number
Cs+1
Cu+1
Cu+2
Dy+2
Dy+3
Er+3
Eu+2
Eu+3
Fe+1
Fe+2
Fe+3
Fe+4
Fe+5
Fe+6
Ga+3
Gd+3
Ge+2
Ge+4
H+1
Hf+2
Hf+4
Hg+1
Hg+2
Ho+3
I+1
I+5
In+1
In+2
In+3
Ir+3
Ir+4
K+1
La+3
Li+1
Lu+3
Mg+2
Mn+2
Mn+3
Mn+4
Mn+5
1055
1056
1057
1059
1060
1061
1064
1065
1066
1067
1068
1069
1070
1071
1076
1077
1078
1079
1080
1082
1084
1085
1086
1087
1088
1089
1091
1092
1093
1095
1096
1098
1101
1102
1104
1108
1110
1111
1112
1113
Cations
Group Number
Mn+6
Mn+7
Mo+2
Mo+3
Mo+4
Mo+5
Mo+6
N+3
N+4
Na+1
Nb+3
Nb+4
Nb+5
Nd+2
Nd+3
NH4+1
Ni+2
Ni+3
Ni+4
Np+3
Np+4
Np+6
Os+3
Os+4
P+3
P+4
P+5
Pa+4
Pa+5
Pb+2
Pb+4
Pd+2
Pd+3
Pd+4
Po+2
Po+4
Pr+3
Pr+4
Pt+2
Pt+3
1114
1115
1117
1118
1119
1120
1121
1124
1125
1127
1130
1131
1132
1133
1134
1136
1138
1139
1140
1143
1144
1146
1149
1150
1154
1155
1156
1158
1159
1160
1161
1162
1163
1164
1166
1168
1170
1171
1172
1173
Cations
Group Number
Pt+4
Pu+3
Pu+4
Pu+6
Ra+2
Rb+1
Re+2
Re+4
Re+5
Re+6
Re+7
Rh+3
Ru+3
Ru+4
Ru+6
S+4
S+6
Sb+3
Sc+2
Sc+3
Se+4
Se+5
Se+6
Si+4
Sm+2
Sm+3
Sn+2
Sn+4
Sr+2
Sr+4
Ta+3
Ta+4
Ta+5
Tb+3
Tb+4
Tc+4
Tc+6
Tc+7
Te+4
Te+6
1174
1177
1178
1180
1182
1183
1185
1187
1188
1189
1190
1194
1199
1200
1202
1205
1206
1207
1209
1210
1211
1212
1213
1215
1216
1217
1218
1219
1220
1221
1223
1224
1225
1226
1227
1231
1233
1234
1235
1236
Cations
Group Number
Th+4
Ti+2
Ti+3
Ti+4
Tl+1
Tl+3
Tm+2
Tm+3
U+3
U+4
U+5
U+6
V+2
V+3
V+4
V+5
W+2
W+4
W+5
W+6
Y+3
Yb+2
Yb+3
Zn+2
Zr+2
Zr+3
Zr+4
Br+1
Co+6
Ho+2
Pd+1
Pt+1
Y+2
B+5
Gd+2
F+1
Ce+2
La+2
Pr+2
Pu+2
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1251
1252
1253
1254
1256
1258
1259
1260
1264
1265
1266
1267
1268
1269
1270
1271
1272
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
Cations
Group Number
Th+2
Er+2
CH2+2
1286
1287
1727
Anions
Group Number
As-3
Br-1
C-4
Cl-1
F-1
I-1
N-3
O-1
O-2
P-3
Re-1
S-2
Sb-3
Se-2
Te-2
H-1
Si-4
BrO3-1
BrO4-1
CO3-2
HCO3-1
ClO2-1
ClO3-1
ClO4-1
IO3-1
IO4-1
IO6-5
NO2-1
NO3-1
OH-1
PO2-1
PO3-1
PO4-3
PO3-3
P2O7-4
1301
1303
1304
1305
1309
1311
1315
1317
1318
1319
1321
1323
1324
1325
1327
1330
1334
1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1617
1616
1618
Table 3.8 OgataTsuchida Method

Functional Groups
Anions
Group Number
H2PO2-1
SO3-2
SO4-2
S2O3-2
S2O8-2
S2O7-2
S2O6-2
S2O5-2
S2O4-2
S3O6-2
S4O6-2
N2O2-2
S5O6-2
N2O3-2
HOCHOHCOO-1
NH2CH2COO-1
CONH2COO-1
C2H3O2N2-1
ClCHCHCl-2
CH2OHCOO-1
CCl3COO-1
OCH2COO-2
OCH2CH2-2
1619
1627
1628
1629
1633
1634
1635
1636
1637
1638
1639
1641
1640
1642
1701
1702
1703
1704
1705
1706
1707
1708
1709
Functional Group Group Number Radical, R, showing deviations > 5K
RH 20
RCL
RBR
RI
100
101
102
103
Me, t-Bu
ROH
MeOR
EtOR
ROR
PhOR
RONO2
104
105
106
107
108
109
Me, t-Bu
Me
RSH
RSMe
110
111
Me, Hep
Me
Functional Group Group Number Radical, R, showing deviations > 5K
RSET
RSR
112
113
Me, Hep
RNH2
RNHMe
RNHEt
RNHPr
RNMe2
RNO2
114
115
116
117
118
119
Me
Me, Et
HCOR
MeCOR
EtCOR
120
121
122
RCN
RCOCL
HCOOR
MeCOOR
EtCOOR
PhCOOR
RCOOH
RCOOMe
RCOOEt
RCOOPr
RCOOPh
(RCO)20
CLCH2COOR 20
CL2CHCOOR
BRCH2COOR
NCCH2COOR
CH2=CHCOOR
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
Radical Type
Group Number Radical, R, showing deviations > 5K
METHYL
ETHYL
N-PROPYL
ISOPROPYL
N-BUTYL
140
141
142
143
144
SEC-BUTYL
145
Hep
Table 3.9 OrrickErbar Method

Functional Groups
Radical Type
Group Number Radical, R, showing deviations > 5K
ISOBUTYL
T-BUTYL
N-AMYL
ISOAMYL
146
147
148
149
T-AMYL
NEOPENTYL
N-HEXYL
ISOHEXYL
N-HEPTYL
150
151
152
153
154
N-OCTYL
VINYL
ALLYL
2-BUTENYL
PHENYL
155
156
157
158
159
Functional Group
Group Number
100
Special Corrections
-C(R)3
C(R)4
Double bond (nonaromatic)
5-Member ring
6-Member ring
Aromatic ring
Ortho substitution
Meta substitution
Para substitution
-CL
-BR
-I
-OH
-COO- (ester)
-O>C=O
-COOH (acid)
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
Table 3.10 Parachor

Method Functional
Groups
Functional Group
Group Number
Carbon Increments
-CH3
>CH2
>CH>C<
=CH2
=CH=C<
=C=
CH
C-
100
101
102
103
104
105
106
107
108
109
Halogen Increments
-
F
-CL
-BR
-I
110
111
112
113
Oxygen Increments
-OH (alcohol)
-OO=CH- (aldehyde)
-COOH (acid)
-COO- (ester)
114
115
116
117
118
119
Nitrogen and Sulfur Increments
-NH2
>NH
>N-CN
-NO2 (nitrite)
S
120
121
122
123
124
125
Alkyl Groups
CH3-CH(CH3)CH3-CH2-CH(CH3)CH3-CH2CH2-CH(CH3)CH3-CH(CH3)-CH2CH3-CH2-CH(C2H5)CH3-C(CH3)2CH3-CH2-C(CH3)2-
126
127
128
129
130
131
132
Functional Group
Group Number
Alkyl Groups
CH3CH(CH3)-CH(CH3)CH3CH(CH3)-C(CH3)2C6H5-
133
134
135
Ketone Groups
R1-(C=O)-R2 for R1+R2=2

R1-(C=O)-R2 for R1+R2=3
R1-(C=O)-R2 for R1+R2=4
R1-(C=O)-R2 for R1+R2=5
R1-(C=O)-R2 for R1+R2=6
R1-(C=O)-R2 for R1+R2=7
-NO3 (nitrate)
-CO(NH2)
N (except as above)
136
137
138
139
140
141
142
143
144
Table 3.11
Reichenberg Method
Functional Groups
3-Member
4-Member
5-Member
6-Member
145
146
147
148
Functional Group
Group Number
Nonring Increments
-CH3
>CH2
>CH>C<
=CH2
=CH=C<
CH
C-
100
101
102
103
104
105
106
107
108
Ring Increments
>CH2
>CH>C<
=CH=C<
109
110
111
112
113
Functional Group
Group Number
Halogen Increments
-F
-CL
-BR
114
115
116
Oxygen Increments
-OH (alcohols)
-O- (nonring)
>C=O (nonring)
O=CH- (aldehyde)
-COOH (acid)
-COO- (ester)
117
118
119
120
121
122
Nitrogen Increments
-NH2
>NH (nonring)
-N= (ring)
-CN
123
124
125
126
Other Increments
Table 3.11A Ruzicka

Method Functional
Groups
-S- (ring)
HCOO- (formates)
127
128
Functional Group
Group Number
Hydrocarbon Groups
C-(C)(H)3
C-(C)2(H)2
C-(C)3(H)
C-(C)4
CD-(H)2
CD-(C)(H)
CD-(C)2
CD-(CD)(H)
CD-(CD)(C)
CD-(CB)(H)
CD-(CB)(C)
C-(CD)(H)3
C-(CD)2(H)2
C-(CD)(C)3
C-(CD)(C)(H)2
100
101
102
103
104
105
106
107
108
110
111
115
116
118
119
Functional Group
Group Number
Hydrocarbon Groups
C-(CD)(C)2(H)
C-(CT)(H)3
C-(CT)(C)(H)2
C-(CB)(CD)(H)2
C-(CB)(H)3
C-(CB)(C)(H)2
C-(CB)(C)2(H)
C-(CB)(C)3
C-(CB)2(H)2
C-(CB)3(H)
C-(CB)(N)(H)2
CT-(H)
CT-(C)
CT-(CB)
CB-(H)
CB-(C)
CB-(CD)
CB-(CT)
CB-(CB)
CA
CBF-(CB)2(CBF)
CBF-(CB)(CBF)2
CBF-(CBF)3
120
122
123
124
125
126
127
128
129
130
131
132
133
135
136
137
138
139
140
141
142
143
144
Cyclopropane
Cyclobutane
Cyclopentane
Cyclopentene
Cyclohexane
Cyclohexene
Cycloheptane
Cyclooctane
Cylcopentane with subtituting groups
Spiropentane
Indene
Cyclooctatetraene
Cyclooctadiene
Cyclooctene
149
151
153
154
156
157
158
159
500
501
502
503
504
505
Functional Group
Group Number
Cycloheptatriene
Cycloheptene
Cyclohexadiene
Indan
Tetralin
Hexadecahydropyrene
Tetradecahydrophonanthrene
Dodecahydrofluorene
Decahydronaphthalene
Hexahydroindan
506
507
508
509
510
511
512
513
514
515
CO-(CO)(O)
CO-(O)(CD)
CO-(O)(CB)
CO-(O)(C)
CO-(O)(H)
CO-(CD)(H)
CO-(CD)(C)
CO-(CB)(C)
CO-(CB)(H)
CO-(C)2
CO-(C)(H)
O-(CO)(C)
O-(CO)(H)
O-(CB)2
O-(CB)(C)
O-(CB)(H)
O-(C)2
O-(C)(H)
CD-(CO)(C)
CD-(CO)(H)
CB-(CO)
CB-(O)
C-(CO)(C)2(H)
C-(CO)(C)(H)2
C-(CO)(C)3
C-(CO)(H)3
C-(O)2(C)2
162
163
164
165
166
167
168
169
170
171
172
178
179
185
186
187
188
189
191
192
196
197
199
200
201
202
203
Functional Group
Group Number
C-(C)2(O)(H) (ester)
C-(O)2(H)2
C-(O)(CB)(H)2
C-(O)(C)3 (ester,ether)
C-(O)(CD)(H)2
C-(O)(C)3 (alcohol)
C-(O)(C)2(H) (alcohol)
C-(O)(C)(H)2
C-(O)(H)3
204
205
206
207
208
209
210
211
212
Ethylene Oxide
Trimethylene Oxide
Tetrahydrofuran
Tetrahydropyran
1,3-Dioxane
Furan
Glycols
Diphenol
215
216
217
218
219
222
516
517
C-(N)(H)3
C-(N)(C)(H)2
C-(N)(C)2(H)
C-(N)(C)3
N-(C)(H)2
N-(C)2(H)
N-(C)3
N-(N)(H)2
N-(N)(C)(H)
N-(N)(C)2
N-(N)(CB)(H)
N-(CD)2(H) (ring)
NI-(CB)
N-(CB)(H)2
N-(CB)(C)(H)
N-(CB)(C)2
N-(CB)2(C)
CB-(N)
229
230
231
232
233
234
235
236
237
238
239
241
242
245
246
247
248
249
Functional Group
Group Number
C-(CN)(C)(H)2
C-(CN)(C)3
CD-(CN)(H)
CB-(CN)
C-(NO2)(C)(H)2
O-(NO2)(C)
CD-(H)(N)
CB-(NO2)
260
262
264
268
270
275
348
372

Compounds
Pyrrole
Ethyleneimine
Pyrrolidine
Piperdine
109
276
278
279
Halogen Groups
C-(F)3(C)
C-(F)2(BR)(C)
C-(F)(CL)2(C)
C-(F)2(C)2
C-(F)2(CL)(C)
C-(CL)3(C)
C-(CL)2(H)(C)
C-(CL)(H)2(C)
C-(CL)(H)(C)2
C-(BR)(H)2(C)
C-(BR)(H)(C)2
C-(I)(H)2(C)
CD-(F)2
CD-(CL)2
CD-(F)(CL)
CD-(H)(CL)
CB-(F)
CB-(CL)
CB-(BR)
CB-(I)
C-(CB)(F)3
C-(CB)(CL)(H)2
C-(CD)(CL)(H)2
281
282
283
284
287
288
289
290
292
295
296
298
308
309
311
318
325
326
327
328
329
330
331
Functional Group
Group Number
Organosulfur Groups
C-(H)3(S)
C-(C)(H)2(S)
C-(C)2(H)(S)
C-(C)3(S)
CB-(S)
CD-(H)(S)
S-(C)(H)
S-(CB)(H)
S-(C)2
S-(CB)2
S-(S)(C)
S-(S)(CB)
S-(CD)2 (ring)
340
341
342
343
346
347
349
350
351
355
356
357
358

Compounds
Tetrahydrothiophene
Thiacyclohexane
Thiophene
393
394
395
399
UNIFAC Functional Groups

Tables 3.12 and 3.13 list the UNIFAC groups built into the Aspen
Physical Property System. The group number and an example of
group usage is provided for each group listed. Values of the van
der Waals area and volume parameters (GMUFQ and GMUFR)
are built in for all groups. The AC symbol in Table 3.12 denotes a
carbon atom in an aromatic ring. The symbol FCH 2 O denotes the
CH2 - O group in a furan ring.
An X in the L-L column of Table 3.12 indicates liquid-liquid group
interaction parameters are available. A dash () indicates
parameters are not available.
An X in the LBY column of Table 3.12 indicates that the
functional group has been defined for the Lyngby modified
UNIFAC model. A dash () indicates that the group cannot be used
for this model. The DMD column is for the Dortmund modified
UNIFAC model.
Table 3.13 lists six groups with liquid-liquid parameters, but no
vapor-liquid parameters. The propanols are a special case. For the
vapor-liquid option sets such as UNIFAC and UNIF-HOC,
propanol is described by three CHn groups and one OH group. For
UNIF-LL, 1-propanol is described by the independent propanol
group P1, and 2-propanol is described by the independent propanol
group P2.
Table 3.12 UNIFAC

Method Functional
Groups
Main
Group
Group
V-L L-L
21
LBY DMD Group Example

22
Number Component
Example Component
Constituent Groups
CHn
1000
4 CH3, 1 C
c-CHn
CH
CH2
CH3
CH4
c-C 23
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
1005
1010
1015
1020
1025
c-CH
1030
X
X X X
1035
1050
CH=C
CH2=C
X
X
X
X
X
X
X
X
1055
1060
CH=CH
1065
CH2=CH
1070
ACHn
CH2=CH2
AC 24
X
X

X X X
1075
1100
ACCHn
ACH
ACCH
X
X
X
X
X X
X
1105
1150
ACCH2
1155
OH
ACCH3
OH (P) 25
X
X
X
X
X
X X
1160
1200
CH3OH
H2O
ACOH
CHnCO
OH (S)
OH (T)
CH2CO
X
X
X
X
X
X
X
X
X
1210
1220
1250
1300
1350
1400
c-CH2
CHm=CHn C=C
X
X
X
X
X
X
2,2Dimethylpropane
2-Methylpropane
Hexane
Hexane
Methane
1,1 - dimethyl
cyclohexane
methylcyclohexane
3 CH3, 1 CH
2 CH3, 4 CH2
2 CH3, 4 CH2
1 CH4
2 CH3, 5 c-CH2; 1 c-C
1 CH3, 5 c-CH2, 1 cCH
6 c-CH2
4 CH3, 1 C=C
cyclohexane
2,3 Dimethylbutene-2
2-Methyl-2-butene 3 CH3, 1 CH=C
2-Methyl-1-butene 2 CH3, 1 CH2, 1
CH2=C
2-Hexene
2 CH3, 2 CH2, 1
CH=CH
1-Hexene
1 CH3, 3 CH2, 1
CH2=CH
Ethylene
1 CH2=CH2
Styrene
1 CH2=CH, 5 ACH, 1
AC
Benzene
6 ACH
Cumene
2 CH3, 5 ACH, 1
ACCH
Ethylbenzene
1 CH3, 5 ACH, 1
ACCH2
Toluene
5 ACH, 1 ACCH3
1-Propanol
2 CH3, 1 CH2, 1 OH
(P)
2-Propanol
2 CH3, 1 CH, 1 OH (S)
tert-Butanol
3 CH3, 1C, 1 OH (T)
Methanol
1 CH3OH
Water
1 H2O
Phenol
5 ACH, 1 ACOH
3-Pentanone
2 CH3, 1 CH2, 1
CH2CO
Main
Group
Group
V-L L-L
21

22
Number Component
Example Component
Constituent Groups
CH3CO
1405
2-Butanone
CHO
CH2COO
X
X
X
X
X
X
X
X
1450
1500
Acetaldelhyde
Butyl propanoate
CH3COO
1505
Butyl acetate
HCOO
1550
Ethyl formate
CHnO
FCH2O 26
CHO
CH2O
CH3O
c-CH2O CH2
X
X
X
X
X
X
X
X
X
X
X
X
1600
1605
1610
1615
1620
Tetrahydrofuran
Diisopropyl ether
Diethyl ether
Dimethyl ether
Tetrahydrofuran
1625
1,3 - dioxane
1 CH3, 1 CH2, 1
CH3CO
1 CH3, 1 CHO
2 CH3, 3 CH2, 1
CH2COO
1 CH3, 3CH2, 1
CH3COO
1 CH3, 1 CH2, 1
HCOO
3 CH2, 1 FCH2O
4 CH3, 1 CH, 1 CHO
2 CH3, 1 CH2, 1 CH2O
1 CH3, 1 CH3O
2 c-CH2, 1 cCH2OCH2
1 c-CH2, 2 cCH2O(CH2)1/2
3 c-(CH2)1/2O(CH2)1/2
CHO
CHnCOO
c-CHnO
CHnNH2
NH2
CHnNH
ChnN
ACNH2
C5HnN
CHnCN
CHnOOH
23
X
X
X
X
c-CH2O
(CH2)1/2
c-(CH2)1/2
O(CH2)1/2
CHNH2
CH2NH2
1630
1,3,5 - trioxane
X
X
X
X
1650
1655
Isopropylamine
Propylamine
CH3NH2
CNH2
NH2
CHNH
CH2NH
X
X
X
X
X
X
X
X
X
X
X
1660
1670
1680
1700
1705
Methylamine
tert-butylamine
Isopropylamine
Diisopropylamine
Diethylamine
CH3NH
CH2N
CH3N
C5H3N
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
1710
1750
1755
1800
1850
C5H4N
C5H5N
CH2CN
CH3CN
HCOOH
COOH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
1855
1860
1900
1905
1950
1955
Dimethylamine
Triethylamine
Trimethylamine
Aniline
2,3Dimethylpyridine
3-Methylpyridine
Pyridine
Propionitrile
Acetonitrile
Formic acid
Acetic acid
2 CH3, 1 CHNH
1 CH3, 1 CH2, 1
CH2NH2
1 CH3NH2
3 CH3, 1 CNH2
2 CH3, 1 CH, 1 NH2
4 CH3, 1 CH, 1 CHNH
2 CH3, 1 CH2, 1
CH2NH
1 CH3, 1 CH3NH
3 CH3, 2 CH2, 1 CH2N
2 CH3, 1 CH3N
5 ACH, 1 ACNH2
2 CH3, 1 C5H3N
1 CH3, 1 C5H4N
1 C5H5N
1 CH3, 1 CH2CN
1 CH3CN
1 HCOOH
1 CH3, 1 COOH
Main
Group
Group
V-L L-L
21

22
Number Component
Example Component
Constituent Groups
CHnCl
CCl
2000
3 CH3, 1 CCl
CHCl
CH2Cl
X
X
X
X
X
X
X
X
2005
2010
CCl2
CHCl2
CH2Cl2
CCl3
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
2050
2055
2060
2100
CHCl3
CHNO2
CH2NO2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
2105
2150
2200
2250
2255
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
2260
2300
2350
2400
2405
2450
2500
2550
2600
2650
2655
2660
2700
2750
2800
2850
2900
X
X
X
X
2905
2950
X
X
X
X
2955
2960
CHnCl2
CHnCl3
CCl4
ACCl
CHnNO2
CH3NO2
ACNO2
CS2
CHnSH
CH2SH
CH3SH
Furfural
(CH2OH)2 (CH2OH)2
I
Br
CHnC
CC
CHC
CHCH
DMSO
(CH3)2SO
Acrylonitrile
Cl(C=C)
ACF
Dimethyl- DMF-1
formamide
(DMF)
DMF-2
CFn
CF
CF2
CF3
2-Chloro-2methylpropane
2-Chloropropane
1-Chlorobutane
2 CH3, 1 CHCl
1 CH3, 2 CH2, 1
CH2Cl
2,2-Dichloropropane 2 CH3, 1 Ccl2
1,1-Dichloroethane 1 CH3, 1 CHCl2
Dichloromethane
1 CH2Cl2
1,1,11 CH3, 1 CCl3
Trichloroethane
Chloroform
1 CHCl3
Tetrachloromethane 1 CCl4
Chlorobenzene
5 ACH, 1 ACCl
2-Nitropropane
2 CH3, 1 CHNO2
1-Nitropropane
1 CH3, 1 CH2, 1
CH2NO2
Nitromethane
1 CH3NO2
Nitrobenzene
5 ACH, 1 ACNO2
Carbon-disulfide
1 CS2
Ethanethiol
1 CH3, 1 CH2SH
Methanethiol
1 CH3SH
Furfural
1 Furfural
1,2-Ethanediol
1 (CH2OH)2
1-Iodoethane
1 CH3, 1 CH2, 1 I
1-Bromoethane
1 CH3, 1 CH2, 1 Br
2-Hexyne
2 CH3, 2 CH2, 1 CC
1-Hexyne
1 CH3, 3 CH2, 1 CHC
Acetylene
1 CHCH
Dimethyl-Sulfoxide 1 DMSO
Acrylonitrile
1 Acrylonitrile
Trichloroethylene 1 CH=C, 3 Cl(C=C)
Hexafluorobenzene 6 ACF
Dimethylformamide 1 DMF-12 CH3, 1
DMF-2
Diethylformamide
Perfluormethylcyclohexane
Perfluorohexane
Perfluorohexane
1 CH3, 5 CH2, 1 CF
2 CF3, 4 CF2
2 CF3, 4 CF2
Main
Group
Group
V-L L-L
COO
SiH2
COO
Si
X
X
3300
3350
SiH
3355
SiH2
SiH3
SiO
X
X
X
3360
3365
3400
SiHO
3405
SiH2O
3410
NMP
NMP
3450
CClF
CCl3F
3500
CCl2F
3505
HCCl2F
3510
HCClF
3515
CClF2
3520
HCClF2
3525
CClF3
3530
CCl2F2
3535
CONH2
CONHCH3
CONHCH2
CON(CH3)2
X
X
X
X
3550
3555
3560
3565
CONCH3CH2
3570
CON(CH2)2
3575
C2H5O2
3600
SiO
CON
OCCOH

22
Number Component
21
Dimethyl oxalate
Hexamethyl
disiloxane
Heptamethyl
trisiloxane
Diethylsilane
Methylsilane
Octamethyl
cyclotetrasiloxane
1,1,3,3-Tetramethyl
disiloxane
1,3Dimethyldisiloxane
Nmethylpyrrolidone
Trichloro
fluoromethane
Tetrachloro-1,2difluoroethane
Dichloro
fluoromethane
1-Chloro-1,2,2,2,tetrafluoroethane
1,2 Dichloro
tetrafluoroethane
Chloro
difluoromethane
Chloro
trifluoromethane
Dichloro
difluoromethane
Acetamid
N-Methylacetamid
N-Ethylacetamid
N,NDimethylacetamid
N,N-Methylethyl
acetamid
N,NDiethylacetamid
2-Ethoxyethanol
Example Component
Constituent Groups
2 CH3, 2 COO
6 CH3, 1 SiO, 1 Si
7 CH3, 2 SiO, 1 SiH
2 CH3, 2 CH2, 1 SiH2
1 CH3, 1 SiH3
8 CH3, 4 SiO
4 CH3, 1 SiHO, 1 SiH
2 CH3, 1 SiH2O, 1
SiH2
1 NMP
1 CCl3F
2 CCl2F
1 HCCl2F
1 CF3, 1HCClF
2 HCClF2
1 HCCl2F
1 CClF3
1 CCl2F2
1 CH3, 1 CONH2
1 CH3, 1 CONHCH3
2 CH3, 1 CONHCH2
1 CH3, 1 CON(CH3)2
2 CH3, 1
CONCH3CH2
3 CH3, 1 CON(CH2)2
1 CH3, 1 CH2, 1
C2H5O2
Main
Group

22
Number Component
V-L L-L
C2H4O2
3605
CH3S
CH2S
CHS
Morpholine MORPH
Thiophene C4H4S
C4H3S
C4H2S
X
X
X
X
X
X
X
3650
3655
3660
3700
3750
3755
3760
NH3 27
H2 27
N2 27
O2 27
CO 27
CO2 27
H2S 27
AR 27
C2H6 28
C3H6 28
C3H8 28
C4H10 28
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
3800
3810
3820
3830
3840
3850
3860
3870
3880
3890
3900
3910
CH2S
NH3
H2
N2
O2
CO
CO2
H2S
AR
C2H6
C3H6
C3H8
C4H10
Example Component
Constituent Groups
21
Group
2-Ethoxy-1propanol
Dimethylsulfide
Diethylsulfide
Diisopropylsulfide
Morpholine
Thiophene
2 - Methylthiophene
2,3 Dimethylthiophene
Ammonia
Hydrogen
Nitrogen
Oxygen
Carbon monoxide
Carbon dioxide
Hydrogen sulfide
Argon
Ethane
Propylene
Propane
n-Butane
2 CH3, 1 CH2, 1
C2H4O2
1 CH3, 1 CH3S
2 CH3, 1 CH2, 1 CH2S
4 CH3, 1 CH, 1 CHS
1 MORPH
1 C4H4S
1 CH3, 1 C4H3S
2 CH3, 1 C4H2S
1 NH3
1 H2
1 N2
1 O2
1 CO
1 CO2
1 H2S
1 AR
1 C2H6
1 C3H6
1 C3H8
1 C4H10
Table 3.13 Special

UNIFAC Liquid-Liquid
Functional Groups
Main
Group
Group
Group
Number
P1
P2
DEOH
TCE
MFA
TMS
P1
3000
P2
3050
(HOCH2CH2)2O3100
CCL2=CHCL
3150
HCONHCH3
3200
(CH2)4SO2
3250
Example
Components
Example Component
Constituent Groups
1-Propanol
1
2-Propanol
1
Diethylene glycol
1
Trichlorethylene
1
Methylformamide
1
Tetramethylene Sulfone 1
(Sulfolane)
P1
P2
HOCH2CH2)2O
CCL2=CHCL
HCONHCH3
(CH2)4SO2
From H. K. Hansen, P. Rasmussen, Aa. Fredenslund, M. Schiller,

and J. Gmehling, Ind. Eng. Chem. Res.30 (10), (1991), p. 2352.
Table 3.14 VaporLiquid Systems

UNIFAC Group
Interaction
Parameters
C
C
H A H
3 H C 2 C
O 2 O C H
H O H O O
C
H
2
C
O
O
C
H
2
N
H
2
A
C
C
L
C
H
2
N
O
2
D
M
S
O
C
L
(
C
= A D C
C C M F
) F F 2
CH2
C=C
ACH
ACCH2
OH
X
X X
X X X
X X X X
CH3OH
H2O
ACOH
CH2CO
CHO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X X
X X X
X X X X
CH2COO
HCOO
CH2O
CH2NH2
CH2NH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
X X
- - X
X - X X
CH2N
ACNH2
C5H4N
CH2CN
COOH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
-
- X
- X X
- X X -
CCL
CCL2
CCL3
CCL4
ACCL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X X
X X X
X X X X
CH2NO2
ACNO2
CS2
CH2SH
FURFURAL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
-
X
-
X
-
X
X
X
-
X
X
X
X
-
X
-
X
X
X
X
X
X
X
X
-
X
X - - - - - -
(CH2OH)2
I
BR
CH#C
DMSO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
-
X
-
X
X
X
-
X
X
X
X
-
X
X
X
X
X
X
X
X
X
-
X
X
X
X
-
X
X
-
X
-
- - - X - X -
ACRYLONI
CL(C=C)
ACF
DMF
CF2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
-
X
X
X
X
-
X
X
-
X
X
-
X
X
X
-
X
X
X
-
X
X
-
X
X
X
-
X
-
X
-
X
X
-
X
-
X
X
-
X
X
X
-
X
X
-
X
-
X
-
X
-
X
X
X
X
-
X
X
-
X
-
X
-
X
-
X
X
-
X
-
X
- X X - - X X
COO
SIH2
SIO
NMP
CCLF
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
-
X
X
-
X
X
-
X
-
X
-
X
-
X
X
-
X
X
-
X
X
X
-
X
-
X
-
X
-
X
-
X
-
X
X
-
X
X
-
X
X
-
X
X
X
-
X
-
X
-
X
X
-
X
-
X
-
X
-
X
-
X
X
-
X
-
- X
- - - - - -
CON
OCCOH
CH4S
MORPHOLI
THIOPHEN
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
-
X
-
X
-
X
-
X
-
X
X
X
X
-
X
-
X
-
X
-
X
-
C
O
O
H
C
C C
C L
L 2
C
C
L
3
C
C
L
4
A C
C H
N C 2
O S S
2 2 H
A
C
R
Y
L
O
N
I
MAIN
GROUP
C
H
2
O
A C C
C C 5 H
H N H 2
2 H 4 C
N 2 N N
(
C
H
2
O
C
H
H
) B #
2 I R C
A
C
C C A C
H = C H O
2 C H 2 H
H
C
O
O
C
H
2
N
H
F
U
R
F
U
R
A
L
S
C
C I S N C
O H I M L
O 2 O P F
O
C
C C
O O
N H
C
H
4
S
M
O
R
P
H
O
L
I
T
H
I
O
P
H
E
N
- - - - - - -
From T. Magnussen, P. Rasmussen, and Aa. Fredenslund, Ind.

Eng. Chem.Process Des. Dev. 20, (1980), pp. 331339.
Table 3.15 LiquidLiquid Systems

UNIFAC Group
Interaction
Parameters
F
U
R
F
U
R
A
L
(
C
H
2
O
H
)
2
MAIN
GROUP
C
H
*
=
C C
H H
* *
CH*
CH*=CH*
ACH*
ACCH*
H
X
X X
X X X
X X X X
H2O
ACOH
CH*CO
CHO
CH*COO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X X
X - X
X X X X
CH*O
ACNH2
C5H*N
CH*CN
CH*OOH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
- X
- - X
X X - -
CH*CL
CH*CL2
CH*CL3
CCL4
ACCL
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
-
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X X X X
- - - X
CH*NO2
ACNO2
FURFURAL
(CH2OH)2
DMSO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
-
X
X
-
X
X
X
X
-
X
-
X
X
-
X
-
X
X
-
X
-
X
X
X
-
- - - X X
- - - X - X X X - - - - X
- - - - -
- X X X
- - - -
DMF
P1
P2
DEOH
TCE
X
X
X
X
X
X
X
X
-
X
X
X
X
-
X
X
X
-
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
-
X
X
-
X
X
-
X
X
X
X
X
-
X
X
-
MFA
TMS
X X X - X X X X -
A
C
H
*
A
C
C
H O
* H
A
H C
2 O
O H
C
C
H
H
*
* C C
C H O
O O O
X - - - X - - - -
C
H
*
O
A
C
N
H
2
C
5
H
*
N
C
H
*
C
N
C
H
*
O
O
H
C
H
*
C
L
- - - - - - - - -
C
H
*
C
L
2
X
X
-
C
H
*
C
L
3
X
X
-
C
C
L
4
X
X
-
A
C
C
L
- - - - - - - - -
C
H
*
N
O
2
A
C
N
O
2
X
X
X
X
D
M
S
O
- - - - - - - - -
D
D
E T
M P P O C
F 1 2 H E
M T
F M
A S
- X
- - - - - - - - - - - - - -
From B. L. Larsen, P. Rasmussen, and Aa. Fredenslund, Ind. Eng.

Chem. Res. 26, (1987), p. 2274.
Table 3.16 Group

Interaction
Parameters for
Lyngby Modified
UNIFAC
C
C
H
A H
3 H C 2 C
O 2 O C H
H O H O O
C
H
2
C
O
O
C
H
2
N N
H H
2 2
MAIN
GROUP
A
C
C C A C
H = C H O
2 C H 2 H
CH2
C=C
ACH
ACCH2
OH
X
X X
X X X
X X X X
CH3OH
H2O
ACOH
CH2CO
CHO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X X
X X X
X - X X
CH2COO
HCOO
CH2O
CH2NH2
NH2
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
-
X
X X
X X X
- X - X
CH2NH
CH2N
ACNH2
C5H4N
CH2CN
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
- X - - - X X
COOH
CCL
CCL2
CCL3
CCL4
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
H
C
O
O
C
H
2
O
C
H
2
N
H
C
H
2
N
X
X
X
A
C
N
H
2
C
5
H
4
N
X
X
X
C
H
2
C
N
C
C C
O C C C
O C L L
H L 2 3
X
X
X
X X
X X X
X X X X
C
C
L
4
From J. Gmehling, J. Li, and M. Schiller, Ind. Eng. Chem. Res. 32,
(1993), pp. 178-193.
Table 3.17 Group

Interaction
Parameters for
Dortmund Modified
UNIFAC Model
C
C
H A H
3 H C 2 C
O 2 O C H
H O H O O
C
H
2
C
O
O
C
H
2
N
H
2
A
C
N
H
2
C
5
H
4
N
C
H
2
C
N
A
C
C
L
CH2
C=C
ACH
ACCH2
OH
X
X X
X X X
X X X X
CH3OH
H2O
ACOH
CH2CO
CHO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X X
X X X
X X - X
CH2COO
HCOO
CH2O
CH2NH2
CH2NH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
X - - X - - X
CH2N
ACNH2
C5H4N
CH2CN
COOH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
-
X
X
-
- X
- X X
- - X -
CCL
CCL2
CCL3
CCL4
ACCL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
-
X
X
X
X
X
X
X
X
X
X X
X X X
X X - X
CH2NO2
ACNO2
CS2
CH3SH
FURFURAL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
-
X
-
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X - - - - - -
(CH2OH)2
I
BR
CH#C
DMSO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
-
X
X
X
X
X
-
X
-
X
-
X
X
X
-
X
X
-
X
-
X
X
X
X
-
X
X
X
X
-
X
X
X
-
X
-
- X
- - X - X -
ACRY
CL(C=C)
ACF
DMF
CF2
X
X
X
X
X
X
X
X
X
-
X
X
X
-
X
X
X
-
X
X
X
X
-
X
X
X
X
-
X
X
-
X
X
-
X
X
-
X
X
X
-
X
X
-
X
X
-
X
-
X
-
X
X
-
X
-
X
X
-
X
X
X
-
X
X
-
X
-
X
-
X
-
X
X
X
X
-
X
X
-
X
-
X
-
X
-
X
-
X
-
X
-
X
- - - - - X -
COO
CY-CH2
CY-CH2O
HCOOH
CHCL3
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
-
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
-
X
X
X
X
-
X
X
-
X
X
X
-
C
O
O
H
C
C C
C L
L 2
C
C
L
3
C
C
L
4
A C
C H
N C 3
O S S
2 2 H
C
L
(
C
= A D C
C C M F
) F F 2
MAIN
GROUP
C
H
2
O
C
H
2
N
(
C
H
2
O
C
H
H
) B #
2 I R C
A
C
C C A C
H = C H O
2 C H 2 H
H
C
O
O
C
H
2
N
H
C
H
2
N
O
2
F
U
R
F
U
R
A
L
D
M
S
O
A
C
R
Y
X
X
X
X
X
X
-
X
X
X
-
X
-
C
Y
C C
O H
O 2
C
Y
C
H
2
O
H
C
O
O
H
C
H
C
L
3
X
- X
- - - X X -
From E. A. Macedo, U. Weidlich, J. Gmehling, and P. Rasmussen,

Ind. Eng. Chem. Process Des. Dev., 22, (1983), p. 676.
Table 3.18 Group

Interaction
Parameters for
UNIFAC Model
Revision 3
C
C
H
A H
3 H C 2 C
O 2 O C H
H O H O O
C
H
2
C
O
O
C
H
2
N
H
2
CH2
C=C
ACH
ACCH2
OH
X
X X
X X X
X X X X
CH3OH
H2O
ACOH
CH2CO
CHO
X
X
X
X
X
X
X
X
X
-
X
X
X
X
-
X
X
X
X
-
X
X
X
X
X
X
X X
X X X
X X - X
CH2COO
HCOO
CH2O
CH2NH2
CH2NH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
-
X
-
X
X - - X - X X
CH2N
ACNH2
C5H4N
CH2CN
COOH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
-
- - X X
- - X -
CCL
CCL2
CCL3
CCL4
ACCL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
-
X
X
X
X
X
-
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
X X
X X X
X - - X
CH2NO2
ACNO2
CS2
CH2SH
FURFURAL
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
-
X
-
X
-
X
X
-
X
X
-
X
X
X
X
X
X
X
-
X
- - - - - - -
(CH2OH)2
I
BR
CH#C
DMSO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
-
X
-
X
-
X
X
X
X
X
X
X
X
-
X
X
X
X
-
- - - X
X - - X
ACRYLONI
CL(C=C)
ACF
DMF
CF2
X
X
X
X
X
X
X
-
X
X
X
-
X
X
-
X
X
X
-
X
X
X
-
X
X
-
X
X
-
X
-
X
X
-
X
-
X
X
-
X
-
X
-
X
-
X
X
X
-
X
-
X
-
X
-
X
-
COO
X X X X X
X X X X -
X X X - X
A
C
N
H
2
C
5
H
4
N
C
H
2
C
N
A
C
C
L
MAIN
GROUP
C
H
2
O
C
H
2
N
C
O
O
H
C
C C
C L
L 2
- - - X X
C
C
L
3
C
C
L
4
- X X X X
A
C
C
H
N C 2
O S S
2 2 H
(
C
H
2
O
C
H
H
)
B #
2 I R C
A
C
C C A C
H = C H O
2 C H 2 H
H
C
O
O
C
H
2
N
H
C
H
2
N
O
2
F
U
R
F
U
R
A
L
- - X - -
X
-
D
M
S
O
A
C
R
Y
L
O
N
I
X
-
- - - - - - -
- X - - X
C
L
(
C
= A D C
C C M F
) F F 2
C
O
O
X X - - -
From D. Tiegs, P. Rasmussen, J. Gmehling, and Aa. Fredenslund,

Table 3.19 Group
Interaction Parameter Ind. Eng. Chem. Res. 26, (1987), p. 159.
for UNIFAC Model
Revision 4
C
C
H
A H
3 H C 2 C
O 2 O C H
H O H O O
C
H
2
C
O
O
C
H
2
N
H
2
A
C
N
H
2
C
5
H
4
N
C
H
2
C
N
A
C
C
L
D
M
S
O
C
L
(
C
= A D C
C C M F
) F F 2
CH2
C=C
ACH
ACCH2
OH
X
X X
X X X
X X X X
CH3OH
H2O
ACOH
CH2CO
CHO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X X
X X X
X X - X
CH2COO
HCOO
CH2O
CH2NH2
CH2NH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
-
X
X
X
-
X
X - - X - X X
CH2N
ACNH2
C5H4N
CH2CN
COOH
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
-
X
-
- - X X
- - X -
CCL
CCL2
CCL3
CCL4
ACCL
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
-
X
X X
X X X
X - - X
CH2NO2
ACNO2
CS2
CH2SH
FURFURAL
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
-
X
-
X
-
X
X
X
-
X
X
X
-
X
X
X
X
X
X
X
-
X
- - - - - - -
(CH2OH)2
I
BR
CH#C
DMSO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
X
X
X
-
X
-
X
X
X
-
X
X
X
X
X
X
X
X
-
X
X
X
X
-
- - - X - - -
ACRYLONI
CL(C=C)
ACF
DMF
CF2
X
X
X
X
X
X
X
-
X
X
X
-
X
X
-
X
X
X
-
X
X
X
-
X
X
-
X
X
-
X
X
-
X
X
X
-
X
-
X
-
X
X
-
X
X
-
X
-
X
-
X
X
X
X
-
X
-
X
-
X
-
X
-
X
-
X
-
- - - - - X -
COO
SIH2
SIO
NMP
X
X
X
X
X
-
X
X
X
X
X
X
X
X
X
X
-
X
X
X
-
X
X
-
X
-
X
-
X
-
X
-
X
-
X
-
X
-
X
-
X
-
X
-
X
X
-
X
-
X
-
X
-
X
-
X
-
X
-
C
O
O
H
C
C C
C L
L 2
C
C
L
3
C
C
L
4
A
C
C
H
N C 2
O S S
2 2 H
A
C
R
Y
L
O
N
I
MAIN
GROUP
C
H
2
O
C
H
2
N
(
C
H
2
O
C
H
H
)
B #
2 I R C
A
C
C C A C
H = C H O
2 C H 2 H
H
C
O
O
C
H
2
N
H
C
H
2
N
O
2
F
U
R
F
U
R
A
L
X
-
S
C I S N
O H I M
O 2 O P
- X
- - -
Notes
1
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
The contributions for PC are missing for the following groups:

120, 124, 148, and 151. The contributions for VC are missing
for the following groups: 120, 146, 147, 148, 149, 150, and
151.
Used only for branched alkanes. The delta Platt number is
defined as the Platt number of the isomer, minus the Platt
number of the corresponding alkane. The Platt number is the
total number of groups with four carbon atoms, three bonds
apart. For n-alkanes, the Platt number is n-3.
Includes naphthenic alcohols and glycols, but not aromatic
alcohols, such as xylenol.
CD represents a carbon atom joined to another carbon atom by
a double bond.
CT represents a carbon atom joined to another carbon atom by
a triple bond.
CB represents a carbon atom in an aromatic ring.
CA represents the central carbon atom of an allene group,
>C=C=C<. The end carbons are treated as normal CD atoms.
CBF represents a carbon atom at the border of two or three
fused aromatic rings.
NI represents a double-bonded nitrogen in imines; NI-(CB)
represents a pyridine nitrogen.
NA represents a double-bonded nitrogen in azo compounds.
Halogen refers to CL, BR, and I.
Required to estimate absolute entropy, which is used to
estimate standard Gibbs free energy of formation.
Substitution on 1, normal-aliphatic.
For adjacent pairs of >CH-, use group 152.
For -F substitution on nonaromatic C=C, use group 153.
The contributions for VC, DGFORM, and CPIG are missing.
This >CH- group represents a carbon atom common to two
condensed saturated rings.
The contribution for VC is missing for groups 142, >Si< and
143, >B-.
The contribution for VC is missing for groups 142, >Si< and
143, >B-.
The contribution for PC is missing for group 143, >B-.
20 R represents radicals, such as Methyl. Groups 140 through 159

are valid radical types.
21 Lyngby modified UNIFAC model.
22 Dortmund modified UNIFAC model.
23 c denotes cyclic functional group.
24 AC denotes a carbon atom in an aromatic ring.
25 P denotes primary alcohol, S for secondary, and T for tertiary.
26 FCH2O denotes CH2-O group in a furan ring.
27 Functional groups used in Henrys Law application and in
PSRK and MHV2 equations of state.
28 Functional groups used in MHV2 equation of state.
CHAPTER 4
Property Sets
Overview
A property set is a list of properties that you can use for:
Heating and cooling curve reports
Distillation column stage property reports and performance
specifications
Reactor profile reports
Design specifications and constraints
FORTRAN blocks
Sensitivity blocks
Optimization
Stream reports and report scaling
Physical property tables
The properties for these applications are defined indirectly. Define
a property set listing the properties. Each property set is assigned
an ID. Use the Prop-Set ID on other forms, such as heating and
cooling curve forms.
Use the Prop-Sets form to list the properties for a property set. You
can specify the phase as follows:
Phase
Description
V
L1
L2
L
S
T
Vapor
First liquid phase
Second liquid phase
Total liquid phase
Solid phase
Total mixture for mixed substream
Property Sets 4-1
For the property set you can also define:

Temperature at which to calculate the property
Pressure at which to calculate the property
Whether to include or exclude water from the calculation
Units for the property
Components for which the properties are to be calculated (for
pure component properties and properties of components in a
mixture)
When you use multiple qualifiers, the property is computed for
each valid combination of qualifiers.
The tables in this chapter describe the properties available in the
Aspen Physical Property System. These tables show the phase
qualifiers and indicate if the temperature, pressure, and basis
qualifiers are applicable. A point () in the tables indicates that you
can use the qualifier for that property.
The properties listed in a property set are calculated only for the
substream specified. Table 4.9 lists properties that can be
calculated for all substreams.
4-2 Property Sets
Table 4.1 Mixture

Thermodynamic
Properties
Volume
PROPNAME Description
RHOLSTD
RHOMX
VLSTDMX
VMX
VVSTDMX
PHASE
V L L1 L2
T
Density
V L L1 L2
ST
Standard liquid volume V L L1 L2
T
Volume
V L L1 L2
ST
Standard vapor volume V L L1 L2
T
TEMP PRES BASISUnits
Standard liquid density
MOLE-DENSITY or MASS-DENSITY
MOLE-VOLUME or VOLUMEFLOW
Flow Rates, Fractions
BETA
PHASE
Molar fraction of liquid

that is L1
Liquid fraction
LFRAC
MASSFLMX Mass flow rate
V L L1 L2
ST
MASSVFRAC Mass vapor fraction
MASS-FLOW
MASSSFRAC Mass solid fraction

MOLEFLMX Mole flow rate
V L L1 L2
ST
MOLE-FLOW
SFRAC
Solid fraction
VFRAC
Mole vapor fraction
VOLFLMX
Volume flow rate
V L L1 L2
ST
VOLUME-FLOW
Enthalpy, Entropy, Gibbs Energy, Heat Capacity
PHASE
AVAILMX
Availability, H-ToS
To=298.15 K
Heat capacity ratio
(CPMX/CVMX)
Ideal gas heat capacity
V L L1 L2
ST
V L L1 L2
ST
V
Constant pressure heat

capacity
Specific heat at
saturation
Constant volume heat
capacity
Gibbs free energy of
mixing
V L L1 L2
ST
V L L1 L2
V L L1 L2
ST
L L1 L2 T
CPCVMX
CPIGMX
CPMX
CSATMX
CVMX
DGMIX
MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW
MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY
Property Sets 4-3
PHASE
DGMX
Free energy departure
DHMX
Enthalpy departure
DSMX
Entropy departure
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V
Excess free energy
V L L1 L2
ST
L L1 L2 S
Ideal gas enthalpy
Enthalpy
Excess enthalpy
V L L1 L2
ST
L L1 L2 S
Ideal gas entropy
Entropy
V L L1 L2
ST
GIGMX
Ideal gas free energy
GMX
GXS
Free energy
2
HIGMX
HMX
HXS
SIGMX
SMX

MOLE-ENTROPY or MASSENTROPY
Other Properties
PHASE
ABSHUMID Absolute humidity
Amount of O2 needed to V L L1 L2
S
completely combust a
given material
MWMX
Molecular weight
V L L1 L2
ST
PBUB
Bubble point pressure
V L L1 L2
T
3
PCMX
Pseudo-critical pressure V L L1 L2
ST
PDEW
Dew point pressure
V L L1 L2
T
PH2OTDEW Dew point temperature V
for water at the partial
pressure of water
PRES
Pressure
MOLES or MASS
COMB-O2
PRMX
RAT-MLFR
RAT-MSFR
Reduced pressure (based V L L1 L2

on PCMX)
ST
Ratio of mole fractions V L L1 L2
T
Ratio of mass fractions V L L1 L2
T
4-4 Property Sets
PRESSURE
PRESSURE
PRESSURE
TEMPERATURE
PRESSURE
RAT-VLFR
PHASE
SONVELMX Sonic velocity
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
L L1 L2 T
SUM-MLFR
Sum of mole fractions
SUM-MSFR
Sum of mass fractions
SUM-VLFR
Sum of liquid volume

fractions
Bubble point temperature V L L1 L2
T
Pseudo-critical
V L L1 L2
temperature
ST
Dew point temperature V L L1 L2
T
Temperature
TCMX
TDEW
TEMP
TRMX
VCMX
ZCMX
Reduced temperature
(based on TCMX)
Pseudo-critical volume
Pseudo-critical
compressibility factor
Compressibility factor
ZMX
Ratio of liquid volume L L1 L2 T

fractions
Percent relative humidity V
RELHUMID
TBUB
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
S
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
MOLE-VOLUME
Table 4.2
Thermodynamic
Properties of
Components in
Mixtures
2
GAMMA
GAMPC
GAMUS
KLL2
KVL
KVL2
PHASE
Activity coefficient
L L1 L2 S
Activity coefficient
pressure correction
L L1 L2 S
L L1 L2
Vapor-liquid K-value
Vapor-liquid2 K-value
MASS-CONC
MASS-FLOW
Unsymmetrically
normalized activity
coefficient
Liquid-liquid K-value
MASSCONC Mass concentration

MASSFLOW Mass flow rate
V L L1 L2
ST
V L L1 L2
ST
Property Sets 4-5
PHASE
MASSFRAC Mass fraction
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
S
V
MOLECONC Molar concentration

MOLEFLOW Mole flow rate
MOLEFRAC Mole fraction
PHIMX
PPMX
Fugacity coefficient
Partial pressure
MOLE-CONC
MOLE-FLOW
PRESSURE
V L L1 L2
Equilibrium solubility of
a freeze-out component
TFREEZ
Freeze-out temperature
of a component 9
TFRZMARG Temperature safety
margin 10
VLSTD
Standard liquid volume
V L L1 L2
V L L1 L2
TEMPERATURE
V L L1 L2
SSOLFACT
Solubility safety factor
SSOLUB
VLSTDFR
VVSTD
VVSTDFR
V L L1 L2
T
Standard liquid volume V L L1 L2
fraction
T
Standard vapor volume V
Standard vapor volume
fraction
Table 4.3 Pure

Component
Thermodynamic
Properties
PHASE
AVAIL
Availability, H-ToS
To=298.15 K
Constant pressure heat
capacity
Heat capacity ratio
(CP/CV)
Ideal gas heat capacity
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V
Constant volume heat

capacity
V L L1 L2
ST
V L L1 L2
S
L L1 L2 S
CP
CPCV
CPIG
CV
DG
DGPC

pressure correction
4-6 Property Sets

PHASE
V L L1 L2
S
Enthalpy of vaporization L
L L1 L2 S
DS
Enthalpy departure
pressure correction
Entropy departure
Free energy
V L L1 L2
S
V L L1 L2
ST
V
V L L1 L2
ST
V
V L L1 L2
S
L L1 L2 S
DH
Enthalpy departure
DHVL
11
DHPC
GIG
Ideal gas free energy

Enthalpy
HIG
Ideal gas enthalpy
PHI
PHIPC
pressure correction
Vapor pressure
PL
12
RHO
Density
Entropy
SIG
Ideal gas entropy
SONVEL
Sonic velocity
Volume

V L L1 L2
ST
V L L1 L2
ST
V
V L L1 L2
T
V L L1 L2
ST
PRESSURE
Table 4.4 Electrolyte

Properties
PHASE
FAPP
L L1 L2 S
MOLE-FLOW
L L1 L2 S
MOLE-FLOW
L L1 L2
L L1 L2
L L1 L2
FTRUE
GXTRUE
GMTRUE
IONSM
Apparent component
molar flow rate
True species molar flow
rates
Activity coefficient of a
true species (mole
fraction scale)
Activity coefficient of a
true species (molality
scale)
Ionic strength (molality
scale)
Property Sets 4-7
IONSX
PHASE
L L1 L2
L L1 L2
L L1 L2
MTRUE
Ionic strength (mole

fraction scale)
Apparent component
molality
True species molality
OSMOT
Osmotic coefficient
PH25
pH at 25C
L L1 L2
PH
pH
L L1 L2
POH25
pOH at 25C
L L1 L2
POH
pOH
L L1 L2
SOLINDEX
Solubility index (ratio of

activity in mixture to
activity at saturation)
Apparent component
mass flow rate
True species mass flow
rate
Apparent component
mass fraction
True species mass
fraction
Apparent component
mole fraction
True species mole
fraction
L L1 L2
L L1 L2 S
MASS-FLOW
L L1 L2 S
MASS-FLOW
L L1 L2 S
L L1 L2 S
L L1 L2 S
L L1 L2 S
MAPP
WAPP
WTRUE
WXAPP
WXTRUE
XAPP
XTRUE
Table 4.5 Transport

Properties
Mixture
PHASE
KINVISC
Kinematic viscosity
V L L1 L2
DIFFUSIVITY
KMX
Thermal conductivity
THERMAL-CONDUCTIVITY
MUMX
Viscosity
V L L1 L2
S
V L L1 L2
VISCOSITY
PR
Prandtl Number
V L L1 L2
V L L1 L2
LENGTH
SIGMAMX
Dimensional Reynolds
Number
Surface tension
L L1 L2
SURFACE-TENSION
THRMDIFF
Thermal diffusivity
V L L1 L2
S
DIFFUSIVITY
RE
13
Component in a Mixture
PHASE
DMX
V L L1 L2
Diffusion coefficient
4-8 Property Sets
DIFFUSIVITY
Pure Components
PHASE
Thermal conductivity
V L L1 L2
THERMAL-CONDUCTIVITY
MU
Viscosity
V L L1 L2
VISCOSITY
SIGMA
Surface tension
L L1 L2
SURFACE-TENSION
Table 4.6 PetroleumRelated Properties for

Mixtures
ANILPT
PHASE
14
V L L1 L2
T
API
API gravity
V L L1 L2
T
CHRATIO
Carbon to hydrogen ratio V L L1 L2
T
FLPT-API
Flash point, API method V L L1 L2
T
FLPT-PM
Flash point, PennskyV L L1 L2
Martens method
T
FLPT-TAG
Flash point, Tag method V L L1 L2
T
MABP
Mean average boiling
V L L1 L2
point
T
V
PHYDRATE Hydrate formation
15
pressure
PRPT-API
Pour point, API method V L L1 L2
T
QVALGRS
Gross heating value
V L L1 L2
T
QVALNET
Net heating value
V L L1 L2
T
REFINDEX Refractive index
V L L1 L2
T
REIDVP
Reid vapor pressure
L L1 L2
Aniline point
RVP-API
Reid vapor pressure, API V L L1 L2

method
T
RVP-P2
Reid vapor pressure,
V L L1 L2
ASTM method, PML
T
implementation
SG
Specific gravity
V L L1 L2
T
SGAIR
Specific gravity
V
(ref. AIR at 60F)
V
THYDRATE Hydrate formation
15
temperature
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
PRESSURE
TEMPERATURE
MASS-ENTHALPY
MASS-ENTHALPY
PRESSURE
PRESSURE
PRESSURE
TEMPERATURE
Property Sets 4-9
PHASE
14
TEMPERATURE
VISINDEX
Volume average boiling V L L1 L2

point
T
Liquid viscosity index L L1 L2
WAT
Watson UOP K-factor
VABP
V L L1 L2
T
Distillation Curves
APICRV
PHASE
14
V L L1 L2
T
APICRVWT API curve as a function V L L1 L2
of weight percent
T
D2887CRV
ASTM D2887 curve as a V L L1 L2
function weight percent T
D86CRK
ASTM D86 curve with V L L1 L2
cracking correction
T
16
ASTM D86 curve
V L L1 L2
D86CRV
T
D86CRVWT ASTM D86 curve as a V L L1 L2
T
function of weight
percent
D86WTCRK ASTM D86 weight curve VLL1 L2T
with cracking correction
D1160CRV
ASTM D1160 curve
V L L1 L2
T
D1160CVW ASTM D1160 curve as a V L L1 L2
T
function of weight
percent
GRVCRV
Gravity curve
V L L1 L2
T
GRVCRVWT Gravity curve as a
V L L1 L2
function of weight
T
percent
MWCRV
Molecular weight curve V L L1 L2
T
MWCRVWT Molecular weight curve V L L1 L2
as a function of weight T
percent
16
TBPCRV
True boiling point curve V L L1 L2
T
TBPCRVWT True boiling point curve V L L1 L2
as a function of weight T
percent
16
Vacuum curve
V L L1 L2
VACCRV
T
VACCRVWT Vacuum curve as a
V L L1 L2
function of weight
T
percent
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
API curve
4-10 Property Sets
Distillation Temperature
D2887T
D86T
17
D86TCK
D86TWT
D86TWTCK
17
D1160T
D1160TWT
TBPT
17
TBPTWT
VACT
17
VACTWT
PHASE
14
ASTM D2887
V L L1 L2
temperature
T
ASTM D86 temperature V L L1 L2
T
with cracking correction T
at a given weight percent T
with cracking correction T
at a given weight percent
ASTM D1160
V L L1 L2
temperature
T
ASTM D1160
V L L1 L2
temperature at a given T
weight percent
True boiling point
V L L1 L2
temperature
T
True boiling point
V L L1 L2
temperature at a given T
weight percent
Vacuum temperature
V L L1 L2
T
Vacuum Temperature at V L L1 L2
a given weight percent T
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
Distillation Volume and Weight Percent
D2887WT
D86LV
18
D86LVCK
D86WT
D86WTCK
D1160LV
D1160WT
TBPLV
TBPWT
18
18
PHASE
14
ASTM D2887 weight

V L L1 L2
percent
T
ASTM D86 liquid
V L L1 L2
volume percent
T
ASTM D86 liquid
V L L1 L2
volume percent with
T
cracking correction
ASTM D86 weight
V L L1 L2
percent
T
V L L1 L2
ASTM D86 weight
T
percent with cracking
correction
ASTM D1160 liquid
V L L1 L2
volume percent
T
ASTM D1160 weight
V L L1 L2
percent
T
True boiling point liquid V L L1 L2
volume percent
T
True boiling point weight V L L1 L2
percent
T
Property Sets 4-11
VACLV
18
VACWT
PHASE
14
Vacuum liquid volume V L L1 L2

percent
T
Vacuum weight percent V L L1 L2
T
Flow Rates for Petroleum Cuts
CUTS-E
19
CUTS-M
19
Flow rates for petroleum

cuts and light ends in
Deg. F
Flow rates for petroleum
cuts and light ends in
Deg. C
PHASE
14
V L L1 L2
T
MOLE-FLOW, MASS-FLOW, or
VOLUME-FLOW
V L L1 L2
T
MOLE-FLOW, MASS-FLOW, or
VOLUME-FLOW
Petroleum Property from ASSAY Analysis

14
PHASE
ANILPT
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
V L L1 L2
T
Aniline point
AROMATIC Aromatic content

ASPHALTE
Asphaltene content
BASIC-N2
Basic nitrogen
BROMINE
Bromine number
CARBON
Carbon content
CETANENO Cetane number

CLOUDPT
Cloud point
COCARBON Conradson carbon

content
FLASHPT
Flash point
FREEZEPT
Freeze point
HYDROGEN Hydrogen content

IRON
Iron content
KNOCKIDX Antiknock index

KVISC
Kinematic viscosity
LUMI-NO
Luminometer number
4-12 Property Sets
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
TEMPERATURE
DIFFUSIVITY
PHASE
14
V L L1 L2
T
METAL
Metal content
V L L1 L2
T
MOC-NO
Motor octane number
V L L1 L2
T
NAPHTHENE Naphthene content
V L L1 L2
T
NICKEL
Nickel content
V L L1 L2
T
OLEFIN
Olefin content
V L L1 L2
T
OXYGEN
Oxygen content
V L L1 L2
T
PARAFFIN Paraffin content
V L L1 L2
T
POURPT
Pour point
V L L1 L2
T
REFINDEX Refractive index
V L L1 L2
T
ROC-NO
Research octane number V L L1 L2
T
RVP
Reid vapor press.
V L L1 L2
T
SMOKEPT
Smoke point
V L L1 L2
T
SULFUR
Sulfur content
V L L1 L2
T
TOTAL-N2 Total nitrogen
V L L1 L2
T
VANADIUM Vanadium content
V L L1 L2
T
VISC
Viscosity
V L L1 L2
T
VLOCKIDX Vapor knock index
V L L1 L2
T
WARMIDX Warm-up index
V L L1 L2
T
MERCAPTA Mercaptan content
TEMPERATURE
PRESSURE
LENGTH
VISCOSITY
Petroleum Property Curves
ANILCRV
Aniline point curve
PHASE
14
V L L1 L2
T
AROMCRV Aromatic content curve V L L1 L2
T
ASPHACRV Asphaltene content curve V L L1 L2
T
BAS-NCRV Basic Nitrogen content V L L1 L2
TEMPERATURE
Property Sets 4-13
curve
BROMICRV Bromine number curve
CARBCRV
Carbon content curve
CETANCRV Cetane number curve

CLOUDCRV Cloud point curve
COCARCRV Conradson carbon
content curve
FLASHCRV Flash point curve
FREEZCRV
Freeze point curve
14
PHASE
T
V L L1 L2

T
V L L1 L2

T
V L L1 L2

T
V L L1 L2
TEMPERATURE
T
V L L1 L2

T
V L L1 L2
TEMPERATURE
T
L L1 L2 T
TEMPERATURE
HYDROCRV Hydrogen content curve V L L1 L2

T
IRONCRV
Iron content curve
V L L1 L2
T
KNOCKCRV Antiknock index curve V L L1 L2
T
KVISCCRV Kinematic viscosity
V L L1 L2
curve
T
LUM-NCRV Luminometer number
V L L1 L2
curve
T
MERCCRV Mercaptan content curve V L L1 L2
T
METALCRV Metal content curve
V L L1 L2
T
MOCNCRV Motor octane number
V L L1 L2
curve
T
NAPHCRV
Naphthene content curve V L L1 L2
T
NICKCRV
Nickel content curve
V L L1 L2
T
OLEFCRV
Olefin content curve
V L L1 L2
T
OXYGEN
Oxygen content curve
V L L1 L2
T
PARACRV
Paraffin content curve V L L1 L2
T
POURCRV
Pour point curve
V L L1 L2
T
REFICRV
Refractive index curve V L L1 L2
T
ROCNCRV Research octane number V L L1 L2
curve
T
RVPCRV
Reid vapor pressure
V L L1 L2
curve
T
4-14 Property Sets
DIFFUSIVITY
TEMPERATURE
PRESSURE
SMOKCRV
PHASE
14
V L L1 L2
T
SULFCRV
Sulfur content curve
V L L1 L2
T
TOT-NCRV Total nitrogen content V L L1 L2
curve
T
UOPKCRV
Watson UOP K curve
V L L1 L2
T
VANACRV Vanadium content curve V L L1 L2
T
VISCCRV
Viscosity curve
V L L1 L2
TV
VLOCKCRV Vapor knock index curve V L L1 L2
T
WARMICRV Warm-up index curve
V L L1 L2
T
Smoke point curve
LENGTH
DIFFUSIVITY
Table 4.7 Elemental

Analysis of Mixtures
MOLEFLC
MOLEFLH
MOLEFLO
MOLEFLN
MOLEFLS
MOLEFLF
MOLEFLCL
MOLEFLBR
MOLEFLI
MOLEFLAR
MOLEFLHE
MASSFLC
MASSFLH
MASSFLO
MASSFLN
MASSFLS
MASSFLF
MASSFLCL
MASSFLBR
MASSFLI
MASSFLAR
MASSFLHE
MOLEFRC
MOLEFRH
MOLEFRO
MOLEFRN
MOLEFRS
MOLEFRF
MOLEFRCL
MOLEFRBR
Mole flow of carbon atoms

Mole flow of hydrogen atoms
Mole flow of oxygen atoms
Mole flow of nitrogen atoms
Mole flow of sulfur atoms
Mole flow of fluorine atoms
Mole flow of chlorine atoms
Mole flow of bromine atoms
Mole flow of iodine atoms
Mole flow of argon atoms
Mole flow of helium atoms
Mass flow of carbon atoms
Mass flow of hydrogen atoms
Mass flow of oxygen atoms
Mass flow of nitrogen atoms
Mass flow of sulfur atoms
Mass flow of fluorine atoms
Mass flow of chlorine atoms
Mass flow of bromine atoms
Mass flow of iodine atoms
Mass flow of argon atoms
Mass flow of helium atoms
Mole fraction of carbon atoms
Mole fraction of hydrogen atoms
Mole fraction of oxygen atoms
Mole fraction of nitrogen atoms
Mole fraction of sulfur atoms
Mole fraction of fluorine atoms
Mole fraction of chlorine atoms
Mole fraction of bromine atoms
PHASE
Units
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MOLE-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
MASS-FLOW
Property Sets 4-15
PROPNAME
MOLEFRI
MOLEFRAR
MOLEFRHE
MASSFRC
MASSFRH
MASSFRO
MASSFRN
MASSFRS
MASSFRF
MASSFRCL
MASSFRBR
MASSFRI
MASSFRAR
MASSFRHE
Description
Mole fraction of iodine atoms
Mole fraction of argon atoms
Mole fraction of helium atoms
Mass fraction of carbon atoms
Mass fraction of hydrogen atoms
Mass fraction of oxygen atoms
Mass fraction of nitrogen atoms
Mass fraction of sulfur atoms
Mass fraction of fluorine atoms
Mass fraction of chlorine atoms
Mass fraction of bromine atoms
Mass fraction of iodine atoms
Mass fraction of argon atoms
Mass fraction of helium atoms
PHASE
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
V L L1 L2 S T
Units
Table 4.8
Nonconventional
Component
Properties
DENSITY
Density
ENTHALPY
Enthalpy 20
HEATCAPACITY
PHASE
20
Heat capacity
20
Temperature
Units
MASS-DENSITY
MASS-ENTHALPY
MASS-HEAT-CAPACITY
Table 4.9 Valid

Properties for
Substream ALL
PHASE
GMX
Free energy of mixture
HMX
Enthalpy of mixture
V L L1 L2
ST
V L L1 L2
ST
LFRAC
Liquid fraction
MASSCONC Mass concentration

MASSFLMX Mass flow rate of
mixture
MASSFLOW Mass flow rate of
components in mixture
MASSFRAC Mass fraction
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
MOLE-ENTHALPY, MASSENTHALPY, or ENTHALPY-FLOW

MOLE-ENTHALPY, MASSENTHALPY
MASS-CONC
MASS-FLOW
MASS-FLOW
MASSSFRAC Mass solid fraction

MASSVFRAC Mass vapor fraction
MOLECONC Molar concentration
4-16 Property Sets
V L L1 L2
ST
MOLE-CONC
PHASE
MOLEFLMX Mole flow rate of

mixture
MOLEFLOW Mole flow rate of
components in mixture
MOLEFRAC Mole fraction
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
MWMX
RHOMX
Molecular weight of
mixture
Density of mixture
SFRAC
Solid fraction
SMX
Entropy of mixture
VFRAC
Mole vapor fraction
VMX
Volume of mixture
VOLFLMX
Volume flow rate of

mixture
MOLE-FLOW
MOLE-FLOW
V L L1 L2
ST
V L L1 L2
ST
V L L1 L2
ST
VOLUME-FLOW
Notes
1
Ideal gas properties are computed at the specified temperature

and the reference pressure of 1 atm.
2 PHASE = L is not allowed if two liquid phases are present.
3 Pseudocritical property; a mole-fraction average of the pure
component critical properties. A PT-Envelope should be used
to calculate the true mixture critical properties.
4 Based on pseudocritical property (see note 3).
5 Specify components for numerator and denominator of ratio as
single component, component group, or boiling point range.
6 Specify single component, component group, or boiling point
range.
7 Vapor-liquid K-value for PHASE=L1 is returned if two liquid
phases are present.
8 Ratio of equilibrium solubility of the freeze-out component and
its mole-fraction
9 Temperature at which a component at its given concentration
just begins to freeze out
10 Temperature safety margin is defined as stream temperature
freeze-out temperature (TFREEZ)
11 Should be obtained using FLASHCURVE with VFRAC=0.
Property Sets 4-17
12 PL cannot be calculated by the following property option sets:

PENG-ROB, PRWS, PRMHV2, PSRK, RK-SOAVE,
RKSWS, RKSMHV2, RK-ASPEN, STEAM-TA,
STEAMNBS, LK-PLOCK, and SR-POLAR.
RE =
13
(mass flow)
viscosity
4
Dimensionless Reynolds Number can be

computed from RE by dividing by pipe diameter (Reynolds
RE
D
14
15
16
17
18
19
20
4-18 Property Sets
Number
).
Combined phase properties are calculated using the combined
phase composition, not by mixing the properties of the
individual phases. (PHASE=T, or PHASE=L when two liquid
phases are present.)
The effect of inhibitors on hydrate formation temperature and
pressure is not observed.
Temperature calculated for LVPCT=0, 5, 10, 30, 50, 70, 90,
95, 100
LVPCT required
TEMP required
Reports flow rates in 100 deg F or 50 deg C increments.
All properties are component properties. Nonconventional
component mixture properties cannot be computed using
PROP-SET.
Index
A
AQU92 databank: 1-16

AQUEOUS databank: 1-15, 1-68
ASPENPCD databank: 1-16, 1-22
Databanks: 1-1, 1-4, 1-15, 1-16, 1-17, 1-18,

1-19, 1-22, 1-68
DFMS databank management: 1-4
E
ETHYLENE databank: 1-19

C
COMBUST databank: 1-19

D
Databanks
AQU92: 1-16
AQUEOUS: 1-15, 1-68
ASPENPCD: 1-16, 1-22
COMBUST: 1-19
ETHYLENE: 1-19
in-house: 1-1
INORGANIC: 1-16
managing with DFMS: 1-4
Pure Component: 1-22
PURE10: 1-18
PURE11: 1-17
PURE856: 1-18
PURE93: 1-18
SOLIDS: 1-18
system: 1-1
user: 1-1
In-house databanks: 1-1

INORGANIC databank: 1-16
P
Pure Component databanks: 1-22

PURE10 databank: 1-18, 1-22
S
SOLIDS databank: 1-18

System databanks: 1-1
U
User databanks: 1-1
Index 1
2 Index

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Part Number: Aspen Physical Property System 11.

Physical Property Data 11.1

Ethylene Component Databank ....................................................................................1-113

Physical Property Data 11.1

Table 3.3A Ducros Method Functional Groups ................................................3-26

Physical Property Data 11.1

Physical Property Data 11.1

About This Manual

Physical Property Data 11.1

About This Manual vii

For More Information

Aspen Physical Property

The manuals are delivered in Adobe portable document format

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This web support site allows you to:

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Physical Property Data 11.1

Customer support is also available by phone, fax, and email for

Physical Property Data 11.1

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Physical Property Data 11.1

Aspen Physical Property System

Physical Property Data 11.1

System databanks System databanks are part of the Aspen Physical

Physical Property Data 11.1

Aspen Physical Property System Physical Property Databanks

Main pure component

In-house pure component

User PP1 databank

Assigned by the user

Physical Property Data 11.1

See Using DFMS to Manage Databanks, this chapter, for an

Using DFMS to Manage Databanks

Physical Property Data 11.1

(a) Grid Structure

(b) Data Structure

Type 2 (or PP2 databank) Has a packed structure, which differs

A PP2 databank uses space more efficiently than a PP1 databank,

Physical Property Data 11.1

values are available for a relatively comprehensive set of

Physical Property Data 11.1

There are four types of DFMS keywords:

TITLE, DESCRIPTION, CLEAN-UP,

"any amount of text entered on any number

CLEAN-UP compresses a databank file. Using CLEAN-UP is

END-INPUT must be the last keyword given to DFMS. It

Physical Property Data 11.1

FILE is used to specify the databank names and passwords of all