APPENDIX

I. Physical Property
Constants and Coefficients
' This appendix is a physical property data bank for 176 chemicals that are divided
into inorganic and organic groups. Within each group, the succession of elements
is alphabetical in the empirical formula. However, organic chemicals begin with
~; ~o~oz o gogoqo oae g ~3 ~~
carbon and hydrogen according to the convention in the Handbook of Chemistry
and Physics.
In Part A, the following physical property constants are listed:
I w g ~ ~ ~ ~
od
00000000000~~000~00ddd o
~ ~ a

M = molecular weight.
Tb = normal boiling point, OR.
T, = critical temperature, OR.
PC= critical pressure, psia.
2, = critical compressibility factor.
w = Pitzer's acentric factor.
6 = Hildebrand's solubility parameter at 2S°C, (~al/cm')"~.
ot =liquid molal volume at superscripted temperature ("C), cm31gmole;
values in parentheses are for hypothetical liquid.
In Part B, physical property coefficients are listed for:
1. Ideal gas heat capacity.
C;, = a, + azT + a3T2+ a4T3+ a5T4,Btu/lbrnole . OF,
where T = OF.
2. Antoine vapor pressure.

where P f = vapor pressure and T' = OF.

A value listed for example, as 0.8334 E-3 means 0.8334 x lo-' or 0.0008334.
Most of the values in Parts A and B of Appendix I were taken, with permission
by the Monsanto Company, from the data records of the FLOWTRAN simula-
tion program.*
Seader, J. D., W. 0.Seider, and A. C. Pauls, F L O W T R A N Simulation-An Introduction. 2nd ed..
CACHE. 77 Massachusetts Avenue, Cambridge, MA 02139, 1977.
2 Part A (cont'd)
OJ

Empirical
Number Formula Name M Tb re PS ZC o S VL

Organic Chc
33 Dichloroacetyl chloride
34 Acetylene
35 Chloroacetyl chloride
36 Vinyl chloride
37 Acetyl chloride
38 1,l.Z-Trichloroethane
39 Acetonitrile
40 Ethylene
41 1.1-Dichloroethane
42 1.2-Dichloroethane
43 Acetaldehyde
44 Ethylene oxide
45 Acetic acid
46 Methyl formate
47 Ethyl chloride
48 Ethane
49 Dimethyl ether
50 Ethanol
51 Ethylene glycol
52 Dimethyl sulfide
53 Ethyl mercaptan
54 Ethylamine
55 Acrylonitrile
56 Methylacetylene
57 Propadiene
58 Propylene
59 Acetone
60 Ethyl formate
61 Methyl acetate
62 Propionic acid
63 Dimethylformamide
64 Propane
65 Isopropanol
66 n-Propanol

Trimethylamine
Vinylacetylene
Thiophene
Methacrylonitrile
Dimethylacetylene
Ethylacetylene
1.2-Butadiene
If -Butadiene
1-Butene
cis-2-Butene
Isobutene
trans-28utene
Isobutyraldehyde
Methyl ethyl ketone
n-Butyric acid
Ethyl acetate
Methyl propionate
Propyl formate
Dimethyl acetamide
Isobutane
n-Butane
Isobutanol
n-Butanol
I-Butyl alcohol
Diethyl ether
Diethylene glycol
Furfural
2-Methyl-l-butene
2-Methyl-2-butene
3-Methyl-l-butene
Cyclopentane
I-Pentene
cis-2Pentene
tmns-2-Pentene
Diethyl ketone
n-Propyl acetate
Isopentane
n-Pentane
Neopentane
1.2.4-Trichlorobenzene
 Part A (cont'd)
0
Emplrlcal
Number Formula Name

Organic lemicols
107 C6H4C12 m-Dichlorobenzene
10% C6H4C12 o-Dichlorobenzene
109 C6H4CI2 p-Dichlorobenzene
1lo C6H5Br Bromobenzene
Ill C6H5CI Chlorobenzene
I12 C6H5I lodobenzene
113 ChH6 Benzene
114 C6H6O Phenol
115 C6H7N Aniline
116 C6H I 2 Cyclohexane
117 C6H I 2 Methylcyclopentane
I 18 C6Hl2 1-Hexene
119 C6H~4 2.2-Dimethylbutane
120 C6H 14 2.3-Dimethylbutane
121 C6H14 n-Hexane
122 C6H14 2-Methylpentane
123 C6H14 3-Methylpentane
124 C6H1404 Triethylene glycol
I25 ClH8 Toluene
126 ClH8O o-CIesol
127 C1H14 Methylcyclohexane
128 C7H14 Ethylcyclopentane
129 C1H14 I-Heptene
130 C1H16 n-Heptane
131 C8H8 Styrene
132 C8H10 Ethylbenzene
133 C8Hl0 m-Xylene
134 C8H10 o-Xylene
135 CuHto p-Xylene
136 C8H16 Ethylcyclohexane
137 C8H16 n-Propylcyclopentane
138 C8H18 n-Octane
139 CUHl80, Tetraethylene glycol
140 C9H8 Indene

Indan
Methylstyrene
1-Ethyl-2-methylbenzene
n-Propylbenzene
nPropylcyclohexane
n-Nonane
Naphthalene
1-Methylindene
2-Methylindene
Dicyclopentadiene
n-Butylbenzene
1&Dimethyl-3ethylbenzene
n-Butylcyclohexane
n-Decane
I-Methylnaphthalene
2-Methylnaphthalene
n-Undecane
Acenaphthalene
Diphenyl
2,7-Dimethylnaphthalene
12.3-Trimethylindene
n-Dodecane
Ruorene
I-Methylethylnaphthalene
2.3.5-Trimethylnaphthalene
n-Tridecane
Phenanthrene
n-Tetradecane
l-Phenylindene
2-Ethylfluorene
n-Pentadecane
Ruoranthene
Pyrene
1-Phenylnaphthalene
n-Hexadecane
Chrysene
-
U
Part 8
EmplrIc.l
Number F o r m u l a Name a1 az a% a4 as A1 A2 A3

I n o ~ m i cChrmlcds
I Ar Argon
2 Br2 Bromine
3 CC14 Carbon tetrachloride
4 CO Carbon momxide
5 Cocl2 Phosmnc
6 c% Carbon dioxide
7 -2 Carbon disulfide
8 C20C14 Trichloroacetyl chloride
9 CIH Hydrogen chloride
10 c12 Chlorine
I1 HI Hydrogen iodide
12 Hz Hydrogen
13 Hzo Water
14 "lS H y d r o ~ n.rulfide
I5 H3N Ammonia
16 Ne Neon
17 NO Nitric oxide
I8 N02 Nitrogen dioxide
19 N2 Nitrogen
20 N20 Nitrous oxide
21 02 Oxygen
22 02s Sulfur dioxide
23 Ols Sulfur trioxide
Omanic Chemicals
24 CHCI, Chloroform 0.1245 E-01
25 CHN Hydroen cyanide 0.526853 E-02
26 CH20 Formaldehyde 0.1838523 E-02
27 CHJCl Methyl chloride 0.10068l8E-0l
28 CH,I Methyl iodide 0.1 105462E-01
29 CH4 Methane 0.3806333 Ed2
30 CH40 Methanol 0.8430642 E-02
31 CH5N Methylamine 0.1571 E-01
32 C2HC13 Trichlomethylene O.lX91162E-01
33 C2HCI,0 Dichloroacetyl chloride 0.2396316 E d l
34 C2H2 Acetylene 0.8273 E-02
35 C2H2C120 Chloroacetyl chloride 0.2060988 E-02
36 C2HjCl Vinyl chloride 0.1776248 E-01
37 C2H3CI0 Acetyl chloride 0.1725661 E-01

1.1.2-Trichloroethane 0.2598217 E-01 -0.1193551 E-ll

Acetonitrile 0.12320% E-01 0.7743102 E-12
Ethylene 0.1393934 E-01 0.3615357 E-l l
1.1-Dichloroethane 0.22237 Ed1 0.0
I .2-Dichloroethane 0.1985922 E-01 0.9333614 E-13
Acetaldehyde 0.1481123 E-01 0.172932 E-ll
Ethylene oxide 0.1762188 E-01 0.4326094 E-l I
Acetic acid 0.229877 E-01 -0.2804407 E- 12
Methyl formate 0.2105721 E-01 0.2608819E-l I
Ethyl chloride 0.21267 E d l 0.0
Ethane 0.140309 E-01 0.3162199E-lI
Dimethyl ether 0.1599677 E-01 0.4398304 E-I I
Ethanol 0.2153149Edl 0.1893692 E-l I
Ethylene glycol 0.2404298 E-01 0.4248091 E-l l
Dimethyl sulfide 0.1919445 E-01 0.2328362 E-l I
Ethyl mertaptan 0.2175969 8-01 0.1279568 E-I 1
Ethylamine 0.2301337 E-01 0.470142 E-l l
Acrylonitrile 0.1984967 E-01 -0.2797383 E-13
Methylacetylene 0.1775777 Ed1 -0.242782 E-I2
Pmpadiene 0.1928835 E b l 0.1813724E-ll
Propylcne 0.2106998 Ed1 0.5247386 E-l l
Acetone 0.2340064 E-01 0.1323724E-lI
Ethyl formate 0.273312 E-01 0.3692011E-l l
Methyl acetate 0.2395065 E-01 0.3676818 E- l l
Propionic acid 0.2781613 E-01 0.323127E-I1
Dimethylformamide 0.3068996 EOI 0.287579 E-1 I
Propane 0.2504953 E.01 0.1864467 E-10
Isopropanol 0.3374798 Ed1 0.2586334 E-ll
n-Propanol 0.2788756 E-01 0.3679178 E-11
Trimethylamine 0.3856445 E-01 -0.1282133 E-13
Vinylacetykne 0.171349 M I 0.1410128E-l l
Thiophene 0.3754804 E-01 -0.709689 E-12
Methacrylonitrile 0.2314625 E-01 0.1908719~-lI
Dimethylacetylene 0.25171ME-01 -0.4824367 E-I2
Ethylacetylene 0.2778978 E-OI -0.3742009 E-I2
1.2-Butadiene 0.26213 E-01 0.1011447ElI
13-Butadiene 0.3392027 E-01 0.561 1304 E-l I
I-Butene 0.3297022 E-01 0.2826942 E-l I
cis-2-Butene 0.2966393 E-01 0.8437562 E-l l
Isobutene 0.3101008 E-01 0.3200886 E-l I
Imns-2-Butene 0.2761259 E-01 0.5631517E-ll
Isobutyraldehydc 0.3284M7 E-01 0.4330567 E-l l
Methyl ethyl ketone 0.2959Q44 E b l 0.3038054 E-l I
nButyric acid 0.3727M Ed1 0.4365542 E-l I
Ethyl acetate 0.3329732 E-01 0.4824152 E-l I
Part B (cont'd)
Emplrkal
Numbor Formula Nama a?

Organic Chmicolr
83 C4H802 Methyl propionate 24.90819 0.4824152 E-I I
84 C4H802 P m y l formate 24.90819 0.4824152 E-ll
85 C4H9N0 Dimcthyl acetamide 24.63017 0.4017948 Eel l
86 C4Hlo lsobvtane 20.41853 0,2296993 E-10
87 C,Hlo n-Butane 20.79783 0.238092 E-I0
88 C4Hlo0 lsobulanol 17.906 0.1247926 E-I0
89 C4H n-Butanol 22.86768 0.139999 E-l I
90 C4Hlo0 I-Butyl alcohol 23.W9 0.1541653 E-11
91 C4H1oO Diethyl ether 23.43495 0.6906888 E.1 I
92 C4HloO3 Dicthylene glycol 26.63047 0.8904581 E-I l
93 CSH402 Furtun1 20.38649 0.3466989 E- l l
94 CsH,o 2-Methyl-l-butcne 23.51432 0.7590583 E-l I
95 C5H1o 2-Methyl-2-butene 22.08508 0.511218E-11
% CSHlo 3-Methyl-l-butene 24.9862 1 -0.6539061 E-l l
97 CsHlo Cyclopentane 16.21714 0.1338546 E-I0
98 CSHIO IBentem 23.@%341 0.1708107E-It
99 CSHl, cisd-Pentem 21.12406 0.4474386 E-l I
IW CsHlo trans-2-Pentene 22.95406 0.6325655 E-l I
101 CsHloO Diethy1 ketone 24.50798 0.5488549 E-l l
102 C5HloO2 n-Propyl acetate 28.73052 0.5975479 E-l l
103 CsH12 lsopentane 24.94637 0.1774503 E-10
104 CsH12 n-Pentanc 25.64627 0.3079918 E-I0
105 CIHI~ Neopentane 25.46761 0.2506343 E-I0
106 C6H3CI3 1.2.CTrichlorobenzene 25.75694 -0.1390436 E-l I
107 C6H4C12 m-Dichlomben~ene 22.87009 0.7361333 E-12
108 C6H4C12 o-Dichloroknzene 22.87009 0.7361333 E-12
109 C6H4C12 P-Dichlombenzcne 22.87009 0.7361333 E-12
110 C6HSBr Bmmobenzene 20.36329 0.2980795 E-l I
Ill C6HJCl Chlorobenzenc 19.98323 0.2862703 E-l l
112 C6H~1 todobenzene 20.57765 0.2927215 E-l l
113 Benzene 16.39282 0.2398098 E-10
I14 C6H60 Phenol 19.91816 0.4113815 E-12
I15 C6H7N Aniline 20.1 1747 (3.5366204 E-l I
I16 C6Hi2 Cyclohexane 21.00016 0.1482606 E-10

Mcthylcyclopentane
I-Hexene
2.2-Dimethylbutane
23-Dimclhylbutane
n-Hexnne
2-Methylpentanc
3-Methylpentane
Triethylene glycol
Toluene
0Cmsol
Methylcyclohcxane
Ethylcyclopentane
I-Heptene
n-Heptane
Stmne
Ethylbenzene
m-Xylene
o-Xylem
p-X~kne
Ethylcyclohcxane
n-Pmpylcyclopent8ne
n-Octane
Tetraethylem glycol
lndene
lndan
Methylatyrene
I-ELyl-2-methylbenzene
n-Pmpylbenrene
n-Pmpylcyclohexane
n-Nonane
Naphthalene
I-Methylindcne
2-Methylindene
Dicyclopentadiene
n-Butylbenlcne
12-Dimethyl-3-
Ethylbenzene
n-Butylcyclohexane
n-Dccane
I-Methylnaphthalene
 APPENDIX

11. Sources of
Computer Programs
This appendix presents, in three parts, references to sources of computer
programs that are useful in making calculations of equilibrium-stage separation
operations. The first part refers to programs that deal directly with subject
matter in this book and for which computer program listings are either printed in
the references or are available from the author of the program. In Part B we
reference some widely used industrial-type computer-aided design programs
that include subroutines for many of the calculation procedures described in this
book. Finally, in Part C, references are given that contain extensive descriptions
of computer programs for chemical engineers.

Part A. Computer Programs for Which Listings Are Available

(Usually in FORTRAN)
These programs deal with the subject matter in this book.
Subject Reference Number
Thermodynamic properties (Chapters 4, 5 )
Soave-Redlich-Kwong
Chao-SeaderlGrayson-Streed
van Laar
Wilson
UNIQUAC
UNIFAC
Equilibrium flash (Chapter 7)
Bubble and dew point
Flash
MSEQ
Approximate multicomponent methods (chapter 12)
Fenske-Underwood-Gilliland
Group method
Rigorous multicomponent methods (Chapter IS)
Bubble-point method (Wang-Henke)
Sum-rates
Simultaneous correction (Naphtali-
Sandholm)
Continuous differential contacting
operations (Chapter 16)
Packed-column absorption and stripping