Appendix C

Heat Capacities and Property

Changes of Formation

Table C.1 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
Table C.5 Standard Enthalpies and Gibbs Energies of Formation at 298.15 K for
Substances in Dilute Aqueous Solution at Zero Ionic Strength

655
656 APPENDIX C. Heat Capacities and Property Changes of Formation

Table C.1: Heat Capacities of Gases in the Ideal-Gas State†

ig
Constants in equation CP / R = A + BT + CT 2 + DT −2  for T (K) from 298 K to Tmax
ig
Chemical species Tmax CP298 ∕ R A 103 B 106 C 10−5 D

Alkanes:
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 9.011 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 C5H12 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 C4H8 1500 10.520 1.967 31.630 −9.873 . . . . . .
1-Pentene C5H10 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 C8H16 1500 21.868 4.324 64.960 −20.521 . . . . . .
Miscellaneous organics:
Acetaldehyde C2H4O 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 C2H6O 1500 8.948 3.518 20.001 −6.002 . . . . . .
Ethylbenzene C8H10 1500 15.993 1.124 55.380 −18.476 . . . . . .
Ethylene oxide C2H4O 1000 5.784 −0.385 23.463 −9.296 . . . . . .
Formaldehyde CH2O 1500 4.191 2.264 7.022 −1.877 . . . . . .
Methanol CH4O 1500 5.547 2.211 12.216 −3.450 . . . . . .
Styrene C8H8 1500 15.534 2.050 50.192 −16.662 . . . . . .
Toluene C7H8 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 Br2 3000 4.337 4.493 0.056 . . . . . . −0.154
Carbon monoxide CO 2500 3.507 3.376 0.557 . . . . . . −0.031
Carbon dioxide CO2 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 H2 3000 3.468 3.249 0.422 . . . . . . 0.083
Hydrogen sulfide H2S 2300 4.114 3.931 1.490 . . . . . . −0.232
Hydrogen chloride HCl 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 N2O 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 N2O4 2000 9.198 11.660 2.257 . . . . . . −2.787
Oxygen O2 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 H2O 2000 4.038 3.470 1.450 . . . . . . 0.121
†Selectedfrom H. M. Spencer, Ind. Eng. Chem., vol. 40, pp. 2152–2154, 1948; K. K. Kelley, U.S. Bur. Mines Bull.
584, 1960; L. B. Pankratz, U.S. Bur. Mines Bull. 672, 1982.
APPENDIX C. Heat Capacities and Property Changes of Formation 657

Table C.2: Heat Capacities of Solids†

Constants for the equation Cp∕R = A + BT + DT −2 for T (K) from 298 K to Tmax
ig
Chemical species Tmax CP298∕ R A 103 B 10−5 D
CaO 2000 5.058 6.104 0.443 −1.047
CaCO3 1200 9.848 12.572 2.637 −3.120
Ca(OH)2 700 11.217 9.597 5.435 . . . . . .
CaC2 720 7.508 8.254 1.429 −1.042
CaCl2 1055 8.762 8.646 1.530 −0.302
C (graphite) 2000 1.026 1.771 0.771 −0.867
Cu 1357 2.959 2.677 0.815 0.035
CuO 1400 5.087 5.780 0.973 −0.874
Fe(α) 1043 3.005 −0.111 6.111 1.150
Fe2O3 960 12.480 11.812 9.697 −1.976
Fe3O4 850 18.138 9.594 27.112 0.409
FeS 411 6.573 2.612 13.286 . . . . . .
I2 386.8 6.929 6.481 1.502 . . . . . .
LiCl 800 5.778 5.257 2.476 −0.193
NH4Cl 458 10.741 5.939 16.105 . . . . . .
Na 371 3.386 1.988 4.688 . . . . . .
NaCl 1073 6.111 5.526 1.963 . . . . . .
NaOH 566 7.177 0.121 16.316 1.948
NaHCO3 400 10.539 5.128 18.148 . . . . . .
S (rhombic) 368.3 3.748 4.114 −1.728 −0.783
SiO2 (quartz) 847 5.345 4.871 5.365 −1.001
†Selectedfrom K. K. Kelley, U.S. Bur. Mines Bull. 584, 1960; L. B. Pankratz, U.S. Bur. Mines Bull.
672, 1982.

Table C.3: Heat Capacities of Liquids†

Constants for the equation CP∕R = A + BT + CT 2 for T from 273.15 to 373.15 K
ig
Chemical species CP298∕ R A 103 B 106 C
Ammonia 9.718 22.626 −100.75 192.71
Aniline 23.070 15.819 29.03 −15.80
Benzene 16.157 −0.747 67.96 −37.78
1,3-Butadiene 14.779 22.711 −87.96 205.79
Carbon tetrachloride 15.751 21.155 −48.28 101.14
Chlorobenzene 18.240 11.278 32.86 −31.90
Chloroform 13.806 19.215 −42.89 83.01
Cyclohexane 18.737 −9.048 141.38 −161.62
Ethanol 13.444 33.866 −172.60 349.17
Ethylene oxide 10.590 21.039 −86.41 172.28
Methanol 9.798 13.431 −51.28 131.13
n-Propanol 16.921 41.653 −210.32 427.20
Sulfur trioxide 30.408 −2.930 137.08 −84.73
Toluene 18.611 15.133 6.79 16.35
Water 9.069 8.712 1.25 −0.18
†Based on correlations presented by J. W. Miller, Jr., G. R. Schorr, and C. L. Yaws, Chem. Eng.,
vol. 83(23), p. 129, 1976.
658 APPENDIX C. Heat Capacities and Property Changes of Formation

Table C.4: Standard Enthalpies and Gibbs Energies of Formation

at 298.15 K†
Joules per mole of the substance formed

State ΔH f°298 ΔG f°298

Chemical species (Note 2) (Note 1) (Note 1)
Alkanes:
Methane CH4 (g) −74,520 −50,460
Ethane C2H6 (g) −83,820 −31,855
Propane C3H8 (g) −104,680 −24,290
n-Butane C4H10 (g) −125,790 −16,570
n-Pentane C5H12 (g) −146,760 −8,650
n-Hexane C6H14 (g) −166,920 150
n-Heptane C7H16 (g) −187,780 8,260
n-Octane C8H18 (g) −208,750 16,260

1-Alkenes:
Ethylene C2H4 (g) 52,510 68,460
Propylene C3H6 (g) 19,710 62,205
1-Butene C4H8 (g) −540 70,340
1-Pentene C5H10 (g) −21,280 78,410
1-Hexene C6H12 (g) −41,950 86,830
1-Heptene C7H14 (g) −62,760

Miscellaneous organics:
Acetaldehyde C2H4O (g) −166,190 −128,860
Acetic acid C2H4O2 (l) −484,500 −389,900
Acetylene C2H2 (g) 227,480 209,970
Benzene C6H6 (g) 82,930 129,665
Benzene C6H6 (l) 49,080 124,520
1,3-Butadiene C4H6 (g) 109,240 149,795
Cyclohexane C6H12 (g) −123,140 31,920
Cyclohexane C6H12 (l) −156,230 26,850
1,2-Ethanediol C2H6O2 (l) −454,800 −323,080
Ethanol C2H6O (g) −235,100 −168,490
Ethanol C2H6O (l) −277,690 −174,780
Ethylbenzene C8H10 (g) 29,920 130,890
Ethylene oxide C2H4O (g) −52,630 −13,010
Formaldehyde CH2O (g) −108,570 −102,530
Methanol CH4O (g) −200,660 −161,960
Methanol CH4O (l) −238,660 −166,270
Methylcyclohexane C7H14 (g) −154,770 27,480
Methylcyclohexane C7H14 (l) −190,160 20,560
Styrene C8H8 (g) 147,360 213,900
Toluene C7H8 (g) 50,170 122,050
Toluene C7H8 (l) 12,180 113,630
APPENDIX C. Heat Capacities and Property Changes of Formation 659

Table C.4 (Continued)

State ΔH f°298 ΔG f°298

Chemical species (Note 2) (Note 1) (Note 1)
Miscellaneous inorganics:
Ammonia NH3 (g) −46,110 −16,400
Ammonia NH3 (aq) −26,500
Calcium carbide CaC2 (s) −59,800 −64,900
Calcium carbonate CaCO3 (s) −1,206,920 −1,128,790
Calcium chloride CaCl2 (s) −795,800 −748,100
Calcium chloride CaCl2 (aq) −8,101,900
Calcium chloride CaCl2·6H2O (s) −2,607,900
Calcium hydroxide Ca(OH)2 (s) −986,090 −898,490
Calcium hydroxide Ca(OH)2 (aq) −868,070
Calcium oxide CaO (s) −635,090 −604,030
Carbon dioxide CO2 (g) −393,509 −394,359
Carbon monoxide CO (g) −110,525 −137,169
Hydrochloric acid HCl (g) −92,307 −95,299
Hydrogen cyanide HCN (g) 135,100 124,700
Hydrogen sulfide H2S (g) −20,630 −33,560
Iron oxide FeO (s) −272,000
Iron oxide (hematite) Fe2O3 (s) −824,200 −742,200
Iron oxide (magnetite) Fe3O4 (s) −1,118,400 −1,015,400
Iron sulfide (pyrite) FeS2 (s) −178,200 −166,900
Lithium chloride LiCl (s) −408,610
Lithium chloride LiCl·H2O (s) −712,580
Lithium chloride LiCl·2H2O (s) −1,012,650
Lithium chloride LiCl·3H2O (s) −1,311,300
Nitric acid HNO3 (l) −174,100 −80,710
Nitric acid HNO3 (aq) −111,250
Nitrogen oxides NO (g) 90,250 86,550
NO2 (g) 33,180 51,310
N2O (g) 82,050 104,200
N2O4 (g) 9,160 97,540
Sodium carbonate Na2CO3 (s) −1,130,680 −1,044,440
Sodium carbonate Na2CO3·10H2O (s) −4,081,320
Sodium chloride NaCl (s) −411,153 −384,138
Sodium chloride NaCl (aq) −393,133
Sodium hydroxide NaOH (s) −425,609 −379,494
Sodium hydroxide NaOH (aq) −419,150
Sulfur dioxide SO2 (g) −296,830 −300,194
Sulfur trioxide SO3 (g) −395,720 −371,060
Sulfur trioxide SO3 (l) −441,040
Sulfuric acid H2SO4 (l) −813,989 −690,003
Sulfuric acid H2SO4 (aq) −744,530
Water H2O (g) −241,818 −228,572
Water H2O (l) −285,830 −237,129
†From TRC Thermodynamic Tables—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.
660 APPENDIX C. Heat Capacities and Property Changes of Formation

Notes
1. The standard property changes of formation ΔH f°298 and ΔG f°298 are the changes occur-
ring 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 25°C. (b) Liquids (l) and solids
(s): pure substance at 1 bar and 25°C. (c) Solutes in aqueous solution (aq): Hypothetical
ideal 1-molal solution of solute in water at 1 bar and 25°C.

Table C.5: Standard Enthalpies and Gibbs Energies of Formation at 298.15 K for
Substances in Dilute Aqueous Solution at Zero Ionic Strength†
Joules per mole of the substance formed

Chemical species ΔH f°298 ΔG f°298

Acetaldehyde C2H4O −212.2 −139.0

Acetate C 2H 2O2− −486.0 −369.3
Acetic acid C2H3O2 −485.8 −396.5
Acetone C3H6O −221.7 −159.7
Adenosine C10H13N5O4 −621.3 −194.5
+
Adenosine cation C 10H 14N 5O4 −637.7 −214.3
3−
Adenosine 5′ diphosphate (ADP) C 10H 12N 5O 10P 2 −2626.5 −1906.1
2−
C 10H 13N 5O 10P2 −2620.9 −1947.1
C 10H 14N 5O 10P 2− −2638.5 −1972.0
Adenosine 5′ monophosphate (AMP) C10H12N5O10P2− −1635.4 −1040.5
C10H13N5O10P− −1630.0 −1078.9
C10H14N5O7P −1648.1 −1101.6
4−
Adenosine 5′ triphosphate (ATP) C 10H 12N 5O 13P 3 −3619.2 −2768.1
3−
C 10H 13N 5O 13P 3 −3612.9 −2811.5
2−
C 10H 14N 5O 13P 3 −3627.9 −2838.2
Alanine C3H7NO2 −554.8 −371.0
Ammonia NH3 −80.3 −26.5
+
Ammonium NH 4 −132.5 −79.3
D-arabinose C5H10O5 −1043.8 −742.2
L-asparagine C4H8N2O3 −766.1 −525.9
L-aspartate C4H7NO4 −943.4 −695.9
3−
Citrate C 6H 5O 7 −1515.1 −1162.7
2−
C 6H 6O 7 −1518.5 −1199.2
C 6H 7O 7− −1520.9 −1226.3
Carbon dioxide CO2 −413.8 −386.0
−2
Carbonate CO 3 −677.1 −527.8
Bicarbonate CHO 3− −692.0 −586.8
Carbonic acid CH2O3 −694.9 −606.3
APPENDIX C. Heat Capacities and Property Changes of Formation 661

Table C.5 (Continued)

Chemical species ΔH f°298 ΔG f°298

Carbon monoxide CO −121.0 −119.9

Ethanol C2H6O −288.3 −181.6
Ethyl acetate C4H8O2 −482.0 −337.7
Formate CHO 2− −425.6 −351.0
D-fructose C6H12O6 −1259.4 −915.5
D-fructose 6-phosphate C6H11O9P2− −2267.7* −1760.8
C6H12O9P− −2265.9* −1796.6
3−
D-fructose 1,6-biphosphate C 6H 11O 12P 2 −3320.1* −2639.4
2−
C 6H 12O 12P 2 −3318.3* −2673.9
2−
Fumarate C 4H 2O 4 −777.4 −601.9
C 4H 3O 4− −774.5 −628.1
C4H4O4 −774.9 −645.8
D-galactose C6H12O6 −1255.2 −908.9
D-glucose C6H12O6 −1262.2 −915.9
D-glucose 6-phosphate C6H11O9P2− −2276.4 −1763.9
C6H12O9P− −2274.6 −1800.6
L-glutamate C 5H 8NO 4− −979.9 −697.5
L-glutamine C5H10N2O3 −805.0 −528.0
Glycerol C3H8O3 −676.6 −497.5
Glycine C2H5NO2 −523.0 −379.9
Glycylglycine C4H8N2O3 −734.3 −520.2
Hydrogen H2 −4.2 17.6
Hydrogen peroxide H2O2 −191.2 −134.0
Hydrogen ion (Note 2)  H+ 0.0 0.0
Indole C8H7N 97.5 223.8
Lactate C 3H 5O 3− −686.6 −516.7
Lactose C12H22O11 −2233.1 −1567.3
L-leucine C6H13NO2 −643.4 −352.3
Maltose C12H22O11 −2238.1 −1574.7
D-mannose C6H12O6 −1258.7 −910.0
Methane CH4 −89.0 −34.3
Methanol CH4O −245.9 −175.3
Methylammonium CH6N+ −124.9 −39.9
Nitrogen N2 −10.5 18.7
Nicotinamide-adenine dinucleotide (ox) NAD+ (Note 2) 0.0 0.0
Nicotinamide-adenine dinucleotide (red) NADH (Note 2) −31.9 22.7
Nicotinamide-adenine dinucleotide
phosphate (ox) NADP+ (Note 2) 0.0 −835.2
662 APPENDIX C. Heat Capacities and Property Changes of Formation

Table C.5 (Continued)

Chemical species ΔH f°298 ΔG f°298

Nicotinamide-adenine dinucleotide
phosphate (red) NADPH (Note 2) −29.2 −809.2
Oxygen O2 −11.7 16.4
2−
Oxalate C 2O 4 −825.1 −673.9
2−
Hydrogen phosphate HPO 4 −1299.0 −1096.1
Dihydrogen phosphate H 2PO 4− −1302.6 −1137.3
2-propanol C3H8O −330.8 −185.2
4−
Pyrophosphate P 2O 7 −2293.5 −1919.9
3−
HP 2O 7 −2294.9 −1973.9
2−
H 2P 2O 7 −2295.4 −2012.2
H 3P 2O 7− −2290.4 −2025.1
H4P2O7 −2281.2 −2029.9
Pyruvate C 3H 3O 3− −596.2 −472.3
D-ribose C5H10O5 −1034.0 −738.8
D-ribose 5-phosphate C5H9O8P2− −2041.5 −1582.6
C5H10O8P− −2030.2 −1620.8
D-ribulose C5H10O5 −1023.0 −735.9
L-sorbose C6H12O6 −1263.3 −912.0
2
Succinate C 4H 4O 4− −908.7 −690.4
C 4H 5O 4− −908.8 −722.6
C4H6O4 −912.2 −746.6
Sucrose C12H22O11 −2199.9 −1564.7
L-tryptophan C11H12N2O2 −405.2 −114.7
Urea CH4N2O −317.7 −202.8
L-valine C5H11NO2 −612.0 −358.7
D-xylose C5H10O5 −1045.9 −750.5
D-xylulose C5H10O5 −1029.7 −746.2
*Estimated using data from R. N. Goldberg, Y. B. Tewari, and T. N. Bhat, Thermodynamics of Enzyme Catalyzed
Reactions, NIST Standard Reference Database 74, http://xpdb.nist.gov/enzyme_thermodynamics.
†From Robert A. Alberty, Thermodynamics of Biochemical Reactions, Wiley-Interscience, Hoboken, NJ, USA,
2003. Table 3.2, pp. 52–55 and Table 8.2, p. 151.
Notes
1. The standard property changes of formation ΔH f°298 and ΔG f°298 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), except as noted in Note 2.
2. Conventions used in this table are that ΔG f°298 = ΔH f°298 = 0 for H+ and for oxidized
nicotinamide-adenine dinucleotide (NAD ox )
− . For the latter, and other NAD species, no

molecular formula is provided because their properties are computed relative to this
convention rather than relative to the elements in their standard states.