Appendix A

Conversion Factors and Values

of the Gas Constant

Because standard reference books contain data in diverse units, we include Tables A.l and
A.2 to aid the conversion of values from one set of units to another. Those units having no
connection with the SI system are enclosed in parentheses. The following definitions are noted:

--
(ft) E U.S. defined foot = 3.048 x lo-' m
(in) E U.S. defined inch = 2.54 x lop2 m
(gal) U.S. liquid gallon E 231(in)~

--
(lb,) U.S. defined pound mass (avoirdupois)
= 4.535 9237 x lo-' kg
(lbf) force to accelerate l(lb,) by 32.1740 (ft) sP2

--
atm standard atmospheric pressure = 101 325 Pa
(psia) E pounds force per square inch absolute pressure
ton pressure exerted by 1 mm mercury at 273.15 K (0°C) and standard gravity
(cal) thermochemical calorie
(Btu) 2 international steam table British thermal unit
(lb mole) E mass in pounds mass with numerical value equal to the molar mass
(R) E absolute temperature in Rankines

The conversion factors of Table A.1 are referred to a single basic or derived unit of the
SI system. Conversions between other pairs of units for a given quantity are made as in the
following example:
1 bar = 0.986 923 atm = 750.061 torr
thus
750.061
latm = = 760.00 ton:
0.986 923
630 APPENDIX A. Conversion Factors and Values of the Gas Constant

Table A.l Conversion Factors

Quantity Conversion

Length I m = 100 cm
= 3.280 84 (ft) = 39.3701 (in)

Mass I k g = 103
= 2.204 62 (lb,)

Force 1 N = 1 kg m s-'
= lo5 (dyne)
= 0.224 809 (lbf)

Pressure 1 bar = lo5 kg m-' sp2= lo5 N m-2

= lo5 Pa = 10' kPa
= 1O6 dyne cm-2
= 0.986 923 atm
= 14.5038 (psia)
= 750.061 torr

Volume 1 m3 = lo6 cm3

= 35.3147 (ft)3
= 264.172 (gal)

Density

Energy 1J=1kgm2s~'=1Nm
= 1 m 3 P a = 1 0 ~ 5 m 3 b a r = 1 0 c mbar
3
= 9.869 23 cm3 atm
= lo7 dyne cm = lo7 erg
= 0.239 006 (cal)
= 5.121 97 x 10-3(ft)3(psia)= 0.737 562 (ft)(lbf)
= 9.478 3 1 x (Btu)
Power 1 kW = lo3 W = lo3 kg m2 s - ~= lo3 J s-'
= 239.006 (cal) s-'
= 737.562 (ft)(lbf) s-'
= 0.947 83 1 (Btu) s-'
= 1.341 02 (hp)

Table A.2 Values of the Universal Gas Constant

R = 8.314 J mol-' K-' = 8.314 m3 Pa mol-I K-'
= 83.14 cm3 bar mol-I K-' = 8314 cm3 kPa mol-' K-'
= 82.06 cm3 atm mol-' K-' = 82 363.95 cm3 torr mol-' K-'= 0.082 06 m3 atm kmol-'K-'
= 1.9872 (cal) mol-' K-' = 1.986 (Btu)(lb mole)-'(R)-'
= 0.7302 (ft)3(atm)(lb mo1)-'(R)' = 10.73 (ft)3(psia)(lb mo1)-'(R)-'
= 1545 (ft)(lbf)(lbmol)-'(R)-'
 Appendix B

Properties of Pure Species

Listed here for various chemical species are values for the molar mass (molecular weight),
acentric factor w , critical temperature T,, critical pressure PC,critical compressibility factor Z,,
critical molar volume V,, and normal boiling point T,. Abstracted from Project 801, DIPPR@,
Design Institute for Physical Property Data of the American Institute of Chemical Engineers,
they are reproduced with permission. The full data compilation is published by T. E. Daubert,
R. P. Danner, H. M. Sibul, and C. C. Stebbins, Physical and Thermodynamic Properties ofpure
Chemicals: Data Compilation, Taylor & Francis, Bristol, PA, 1,405 chemicals, extant 1995.
Included are values for 26 physical constants and regressed values of parameters in equations
for the temperature dependence of 13 thermodynamic and transport properties.

Electronic versions by the same authors include:

DIPPR@ Data Compilation of Pure Compound Properties, ASCII Files,
National Institute of Science and Technology, Standard Reference Data,
Gaithersburg, MD, 1458 chemicals, extant 1995.
DZPPR@ Data Compilation, Student DIPPR Database, PC-DOS Version, National In-
stitute of Science and Technology, Standard Reference Data,
Gaithersburg, MD, 100 common chemicals for teaching purposes, 1995.
 APPENDIX B. Properties of Pure Species

Table B.l Properties of Pure Species

Molar vc
mass w TcIK P,/bar Z, cm3 mol-' T,/K
or m3 kmol-'

Methane 16.043 0.012 190.6 45.99 0.286 98.6 111.4

Ethane 30.070 0.100 305.3 48.72 0.279 145.5 184.6
Propane 44.097 0.152 369.8 42.48 0.276 200.0 231.1
n-Butane 58.123 0.200 425.1 37.96 0.274 255. 272.7
n-Pentane 72.150 0.252 469.7 33.70 0.270 313. 309.2
n-Hexane 86.177 0.301 507.6 30.25 0.266 371. 341.9
n-Heptane 100.204 0.350 540.2 27.40 0.261 428. 371.6
n-Octane 114.231 0.400 568.7 24.90 0.256 486. 398.8
n-Nonane 128.258 0.444 594.6 22.90 0.252 544. 424.0
n-Decane 142.285 0.492 617.7 21.10 0.247 600. 447.3
Isobutane 58.123 0.181 408.1 36.48 0.282 262.7 261.4
Isooctane 114.231 0.302 544.0 25.68 0.266 468. 372.4
Cyclopentane 70.134 0.196 511.8 45.02 0.273 258. 322.4
Cyclohexane 84.161 0.210 553.6 40.73 0.273 308. 353.9
Methylcyclopentane 84.161 0.230 532.8 37.85 0.272 319. 345.0
Methylcyclohexane 98.188 0.235 572.2 34.71 0.269 368. 374.1
Ethylene 28.054 0.087 282.3 50.40 0.281 131. 169.4
Propylene 42.081 0.140 365.6 46.65 0.289 188.4 225.5
1-Butene 56.108 0.191 420.0 40.43 0.277 239.3 266.9
cis-2-Butene 56.108 0.205 435.6 42.43 0.273 233.8 276.9
trans-2-Butene 56.108 0.218 428.6 41.00 0.275 237.7 274.0
1-Hexene 84.161 0.280 504.0 31.40 0.265 354. 336.3
Isobutylene 56.108 0.194 417.9 40.00 0.275 238.9 266.3
1,3-Butadiene 54.092 0.190 425.2 42.77 0.267 220.4 268.7
Cyclohexene 82.145 0.212 560.4 43.50 0.272 291. 356.1
Acetylene 26.038 0.187 308.3 61.39 0.271 113. 189.4
Benzene 78.114 0.210 562.2 48.98 0.271 259. 353.2
Toluene 92.141 0.262 591.8 41.06 0.264 316. 383.8
Ethylbenzene 106.167 0.303 617.2 36.06 0.263 374. 409.4
Cumene 120.194 0.326 631.1 32.09 0.261 427. 425.6
o-Xylene 106.167 0.310 630.3 37.34 0.263 369. 417.6
m-Xylene 106.167 0.326 617.1 35.36 0.259 376. 412.3
p-Xylene 106.167 0.322 616.2 35.11 0.260 379. 411.5
Styrene 104.152 0.297 636.0 38.40 0.256 352. 418.3
Naphthalene 128.174 0.302 748.4 40.51 0.269 413.
Biphenyl 154.211 0.365 789.3 38.50 0.295 502. 528.2
Formaldehyde 30.026 0.282 408.0 65.90 0.223 115. 254.1
Acetaldehyde 44.053 0.291 466.0 55.50 0.221 154. 294.0
Methyl acetate 74.079 0.331 506.6 47.50 0.257 228. 330.1
Ethyl acetate 88.106 0.366 523.3 38.80 0.255 286. 350.2
Acetone 58.080 0.307 508.2 47.01 0.233 209. 329.4
Methyl ethyl ketone 72.107 0.323 535.5 41.50 0.249 267. 352.8
Diethyl ether 74.123 0.281 466.7 36.40 0.263 280. 307.6
Methyl t-butyl ether 88.150 0.266 497.1 34.30 0.273 329. 328.4
Methanol 32.042 0.564 512.6 80.97 0.224 118. 337.9
 Table B.l (Continued)
Molar VC
mass w T,/K P,lbar 2, cm3 mol-I T,/K

Ethanol
l -Propano1
1-Butanol
1-Hexan01
2-Propanol
Phenol
Ethylene glycol
Acetic acid
n-Butyric acid
Benzoic acid
Acetonitrile
Methylamine
Ethylamine
Nitromethane
Carbon tetrachloride
Chloroform
Dichloromethane
Methyl chloride
Ethyl chloride
Chlorobenzene
Tetrafluoroethane
Argon
Krypton
Xenon
Helium 4
Hydrogen
Oxygen
Nitrogen
Air+
Chlorine
Carbon monoxide
Carbon dioxide
Carbon disulfide
Hydrogen sulfide
Sulfur dioxide
Sulfur trioxide
Nitric oxide (NO)
Nitrous oxide (NzO)
Hydrogen chloride
Hydrogen cyanide
Water
Ammonia
Nitric acid
Sulfuric acid
+pseudoparametersfor y~~ = 0.79 and yo, = 0.21. See Eqs. (6.88)-(6.90).
 Appendix C

Heat Capacities and Property

Changes of Formation

Table C.l Heat Capacities of Gases in the Ideal-Gas State

Table C.2 Heat Capacities of Solids
Table C.3 Heat Capacities of Liquids
Table C.4 Standard Enthalpies and Gibbs Energies of Formation at 298.15 K (25°C)
 Table C.l Heat Capacities of Gases in the Ideal-Gas State?
Constants in equation C;IR = A + BT + CT' + DT-2 T (kelvins) from 298.15 to T,,

Chemical species
- -
- - - -
Tmax ~ 2I R " ~ A - -
1 0 3 ~
~ --
106c IO-'D
- -

Paraffins:
Methane CH4 1500 4.217 1.702 9.081 -2.164
Ethane C2H6 1500 6.369 1.131 19.225 -5.561
Propane C3H8 1500 9.001 1.213 28.785 -8.824
n-Butane C4H10 1500 11.928 1.935 36.915 -11.402
iso-Butane C4H10 1500 11.901 1.677 37.853 -11.945
n-Pentane C5HI2 1500 14.731 2.464 45.351 -14.111
n-Hexane C6H14 1500 17.550 3.025 53.722 -16.791
n-Heptane C7H16 1500 20.361 3.570 62.127 -19.486
n-Octane C8H18 1500 23.174 4.108 70.567 -22.208
1-Alkenes:
Ethylene c2H4 1500 5.325 1.424 14.394 -4.392
Propylene C3H6 1500 7.792 1.637 22.706 -6.915
1-Butene C4Hs 1500 10.520 1.967 31.630 -9.873
1-Pentene CsHlo 1500 13.437 2.691 39.753 -12.447
1-Hexene C6H12 1500 16.240 3.220 48.189 -15.157
1-Heptene C7H14 1500 19.053 3.768 56.588 -17.847
1-Octene C ~ H I ~1500 21.868 4.324 64.960 -20.521
Miscellaneous organics:
Acetaldehyde C2H40 1000 6.506 1.693 17.978 -6.158
Acetylene C2H2 1500 5.253 6.132 1.952 ...... -1.299
Benzene C6H6 1500 10.259 -0.206 39.064 -13.301
1,3-Butadiene C4H6 1500 10.720 2.734 26.786 -8.882
Cyclohexane C6H12 1500 13.121 -3.876 63.249 -20.928
Ethanol CzH6O 1500 8.948 3.518 20.001 -6.002
Ethylbenzene CsHlo 1500 15.993 1.124 55.380 -18.476
Ethylene oxide CzH40 1000 5.784 -0.385 23.463 -9.296
Formaldehyde CH20 1500 4.191 2.264 7.022 -1.877
Methanol Cki40 1500 5.547 2.211 12.216 -3.450
Styrene CsHs 1500 15.534 2.050 50.192 -16.662
Toluene C7Hs 1500 12.922 0.290 47.052 -15.716
Miscellaneous inorganics:
Air 2000 3.509 3.355 0.575 .. . ... -0.016
Ammonia NH3 1800 4.269 3.578 3.020 ...... -0.186
Bromine Brz 3000 4.337 4.493 0.056 ...... -0.154
Carbon monoxide CO 2500 3.507 3.376 0.557 .. . . . . -0.031
Carbon dioxide COz 2000 4.467 5.457 1.045 .. . .. . -1.157
Carbon disulfide CS2 1800 5.532 6.311 0.805 . . . ... -0.906
Chlorine cl2 3000 4.082 4.442 0.089 . . . ... -0.344
Hydrogen Hz 3000 3.468 3.249 0.422 . . . ... 0.083
Hydrogen sulfide H2S 2300 4.114 3.931 1.490 ...... -0.232
Hydrogen chloride HC1 2000 3.512 3.156 0.623 ...... 0.151
Hydrogen cyanide HCN 2500 4.326 4.736 1.359 ...... -0.725
Nitrogen N2 2000 3.502 3.280 0.593 ...... 0.040
Nitrous oxide NzO 2000 4.646 5.328 1.214 . . . - .. -0.928
Nitric oxide NO 2000 3.590 3.387 0.629 . . ... . 0.014
Nitrogen dioxide NO2 2000 4.447 4.982 1.195 . . ... . -0.792
Dinitrogen tetroxide Nz04 2000 9.198 11.660 2.257 ...... -2.787
Oxygen 0 2 2000 3.535 3.639 0.506 . . ... . -0.227
Sulfur dioxide SO2 2000 4.796 5.699 0.801 .... . . -1.015
Sulfur trioxide SO3 2000 6.094 8.060 1.056 .... . . -2.028
Water Hz0 2000 4.038 3.470 1.450 ...... 0.121
+selected from H. M. Spencer, Ind. Eng. Chem., vol. 40, pp. 2152-2154, 1948; K. K. Kelley,
U.S.Bul: Mines Bull. 584, 1960; L. B. Pankratz, U.S. Bul: Mines Bull. 672, 1982.
636 APPENDIX C. Heat Capacities and Property Changes of Formation

Table C.2 Heat Capacities of Solidst

Constants for the equation C p / R = A + BT + D T - ~T (kelvins) from 298.15 K to T,,
Chemical species T,, C~298lR A lo3 B lo4 D

CaO
CaC03
Ca(OH12
CaC2
CaC12
C (graphite)
Cu
cuo
Fe (u)
Fez03
Fe304
FeS
I2
LiCl
NH4C1
Na
NaCl
NaOH
NaHC03
S (rhombic)
Si02 (quartz)
iselected from K. K. Kelley, U.S. Bul: Mines Bull. 584, 1960;
L. B. Pankratz, U.S. Bur Mines Bull. 672, 1982.

Table C.3 Heat Capacities of Liquidst

Constants for the equation C p / R = A + BT + CT' T from 273.15 to 373.15 K

Chemical species C498 lR A lo3 B lo6 C

Ammonia
Aniline
Benzene
1,3-Butadiene
Carbon tetrachloride
Chlorobenzene
Chloroform
Cyclohexane
Ethanol
Ethylene oxide
Methanol
n-Propanol
Sulfur trioxide
Toluene
Water
- -

t ~ a s e don correlations presented by J. W. Miller, Jr., G. R. Schon; and

C. L. Yaws, Chem. E~zg.,vol. 83(23), p. 129, 1976.
Table C.4 Standard Enthalpies and Gibbs Energies of Formation at
298.15 K (25"C)t
Joules per mole of the substance formed
State A H?298 AG?298

Chemical species (Note 2) (Note 1) (Note 1)

Paraffins:
Methane
Ethane
Propane
n-Butane
n-Pentane
n-Hexane
n-Heptane
n-Octane

Ethylene
Propylene
1-Butene
1-Pentene
1-Hexene
1-Heptene
Miscellaneous organics:
Acetaldehyde
Acetic acid
Acetylene
Benzene
Benzene
1,3-Butadiene
Cyclohexane
Cyclohexane
1,2-Ethanediol
Ethanol
Ethanol
Ethylbenzene
Ethylene oxide
Formaldehyde
Methanol
Methanol
Methylcyclohexane
Methylcyclohexane
Styrene
Toluene
Toluene
638 APPENDIX C. Heat Capacities and Property Changes of Formation

Table C.4 (Continued)

State A H?298 AG>298

Chemical species (Note 2) (Note 1) (Note 1)

Miscellaneous inorganics:
Ammonia NH3 (g) -46 110 -16 450
Ammonia NH3 ( 4 -26 500
Calcium carbide CaC2 ($1 -59 800 -64 900
Calcium carbonate CaC03 (s) -1206 920 -1128 790
Calcium chloride CaC12 (s) -795 800 -748 100
Calcium chloride CaC12 (a91 -8101900
Calcium chloride CaClz .6Hz0 (8) -2607 900
Calcium hydroxide Ca(OH)2 (s) -986 090 -898 490
Calcium hydroxide Ca(OH)z (a91 -868 070
Calcium oxide CaO (s) -635 090 -604 030
Carbon dioxide coz (8) -393 509 -394 359
Carbon monoxide CO (8) -110525 -137 169
Hydrochloric acid HC1 (g) -92 307 -95 299
Hydrogen cyanide HCN (8) 135 100 124 700
Hydrogen sulfide Hz S (8) -20 630 -33 560
Iron oxide FeO (s) -272 000
Iron oxide (hematite) Fez03 (s) -824 200 -742 200
Iron oxide (magnetite) Fe304 (s) -1118400 -1015 400
Iron sulfide (pyrite) FeSz ($1 -178 200 - 166 900
Lithium chloride LiCl (s) -408 610
Lithium chloride LiCl.Hz0 (s) -712 580
Lithium chloride LiC1.2H20 (s) -1012 650
Lithium chloride LiC1-3Hz0 ($1 -1311 300
Nitric acid HN03 (1) -174 100 -80 710
Nitric acid HN03 (a91 -111 250
Nitrogen oxides NO (g) 90 250 86 550
NO2 (g) 33 180 51 310
NzO (8) 82 050 104 200
N204 (g) 9 160 97 540
Sodium carbonate Na2C03 (s) -1 130 680 -1044 440
Sodium carbonate Na2C03.10H20 (s) -4081 320
Sodium chloride NaCl (s) -411 153 -384 138
Sodium chloride NaCl (ad -393 133
Sodium hydroxide NaOH (s) -425 609 -379 494
Sodium hydroxide NaOH (ad -419 150
Sulfur dioxide so2 (g) -296 830 -300 194
Sulfur trioxide so3 (g) -395 720 -371 060
Sulfur trioxide so3 (1) -441 040
Sulfuric acid HzS04 (1) -813 989 -690 003
Sulfuric acid HzS04 (ad -744 530
Water Hz0 (g) -241 818 -228 572
Water H20 (1) -285 830 -237 129

t~rom TRC ThermodynamicTables-Hydrocarbons, Thermodynamics Research Center, Texas A &

M Univ. System, College Station, TX; "The NBS Tables of Chemical Thermodynamic Properties,"
J. Phys. and Chem. Reference Data, vol. 11, supp. 2, 1982.
Notes
1. The standard property changes of formation AH& and AG>29x are the changes occurring when
1 mol of the listed compound is formed from its elements with each substance in its standard
state at 298.15 K (25°C).
2. Standard states: ( a )Gases (g): pure ideal gas at 1 bar and 298.15 K (25OC). (b) Liquids ( I ) and
solids (s): pure substance at 1 bar and 298.15 K (25°C). (c) Solutes in aqueous solution (aq):
Hypothetical ideal 1-molal solution of solute in water at 1 bar and 298.15 K (25°C).
 Appendix E

The LeeIKesler
Generalized-correlation Tables

The LeeIKesler tables are adapted and published by permission from "A Generalized
Thermodynamic Correlation Based on Three-Parameter Corresponding States," by Byung Ik
Lee and Michael G. Kesler, AIChE J., 21, 510-527 (1975). The numbers printed in italic type
are liquid-phase properties.

TABLES PAGE
Tables E . l - E.4 Correlation for the compressibility factor 646
Tables E.5 - E.8 Correlation for the residual enthalpy 650
Tables E.9 - E.12 Correlation for the residual entropy 654
Table E.13 - E.16 Correlation for the fugacity coefficient 658
APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.l Values of ZO

Table E.2 Values of Z'
648 APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.3 Values of ZO

Table E.4 Values of z1
650 APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.5 Values of ( H ~ ) ' / R T ,

 Table E.6 Values of ( H ~ ) ' / R T ,
0.0500 0.1000 0.2000 0.4000 0.6000
652 APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.7 Values of ( H ~ ) O / R T ,

Table E.8 Values of ( H ~ ) ' / R T ,
654 APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.9 Values of (sR)O/~

P, = 0.0100 0.0500 0.1000 0.2000 0.4000 0.6000 0.8000 1.0000
T,
 Table E.10 Values of ( s ~ ) ' / R
P,= 0.0100 0.0500 0.1000 0.2000 0.4000 0.6000 0.8000 1.0000
T,
APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.ll Values of (sR)O/~

Table E.12 Values of ( s ~ ) ' / R
65 8 APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.13 Values of @O

Table E.14 Values of 4'
APPENDIX E. The Lee/Kesler Generalized-correlation Tables

Table E.15 Values of q5O

Table E.16 Values of 4'
1.5000 2.0000 3.0000 5.0000 7.0000 10.000