Instructions

Ka Calculator
This spreadsheet calculates equilibrium constants at standard state given
reaction stoichiometry and heat capacities.
Be sure to balance the chemical reaction and enter negative stoichiometric
numbers for reactants and positive stoichiometric numbers for products.
Enter the Gibbs energy of formation at 298 K and 1 bar in column D.
Enter the Enthalpy of formation at 298 K and 1 bar in column C.
Enter the heat capacity constants from Appendix H in columns E-H
Enter the reaction temperature in cell B16
Copyright 1997, Carl T. Lira
For use with Introduction to Applied Thermodynamics, J.R. Elliott, Jr., Carl T. Lira
www.egr.msu.edu/~lira/thermtxt.htm

Page 1

Ka Calculator

Stoichiometric
Number

DHof,298
DGof,298
Name
(kJ/mol) (kJ/mol) a
-1 CARBON MONOX -110.53
-137.16
-2 H2
0
0
1 METHANOL
-200.94
-162.24

enter all species above line 14

Reaction T(K)
DHoT (kJ/mol)

400
-94.427

DGoT (kJ/mol)

-2.123

ln Ka
Ka

0.638300488
1.893260524

Constants for CP in J/mol-K

b
c
d
30.87 -1.285E-02 2.789E-05 -1.272E-08
27.14 9.274E-03 -1.381E-05 7.645E-09
21.15 7.092E-02 2.587E-05 -2.852E-08

Intermediate Calculations, J and I defined in text

Da
Db
Dc
Dd
-64 6.522E-02 2.560E-05 -3.109E-08
R (kJ/mol-K)
0.008314
DHo298 (kJ/mol)
-90.41
DGo298 (kJ/mol)
ln Ka,298
J (kJ/mol)
I

Page 2

-25.08
10.117721
-74.392049
-22.759103

Pure Data

Hint: To transfer values to the other worksheets, copy the desired cells, then use Paste Special... Values....
in order to preserve the formats of the cells.
DHf,298
DGf,298
Heat Capacity Constants
kJ/mol
kJ/mol
A
B
C
Data for Solids
CARBON (GRAPHITE)
0
0
-3.9578 5.59E-02 -4.55E-05
CALCIUM CARBONATE
-1206.92 -1128.79
CALCIUM OXIDE
-635.09
-604.03
Data for Gases
Paraffins
1 METHANE
-74.8936
2 ETHANE
-83.82
3 PROPANE
-104.68
4 n-BUTANE
-125.79
5 ISOBUTANE
-134.99
7 n-PENTANE
-146.76
8 ISOPENTANE
9 NEOPENTANE (2,2-Dimethylpropane)
11 n-HEXANE
-166.92
17 n-HEPTANE
-187.8
27 n-OCTANE
-208.75
41 ISOOCTANE
-224.01
46 n-NONANE
-228.74
56 n-DECANE
-249.46
64 n-DODECANE
66 n-TETRADECANE
68 n-HEXADECANE
-374.17
Naphthenes
104 CYCLOPENTANE
-78.4
105 METHYLCYCLOPENTANE
-106.023
137 CYCLOHEXANE
-123.3
138 METHYLCYCLOHEXANE
-154.766
153 cis-DECALIN
-168.95
154 trans-DECALIN
-182.297
Olefins and Acetylene
201 ETHYLENE
52.51
202 PROPYLENE
19.71
204 1-BUTENE
-0.54
205 cis-2-BUTENE
-7.4
206 trans-2-BUTENE
-11
207 ISOBUTENE (Isobutylene)
-17.1
209 1-PENTENE
216 1-HEXENE
-41.67
260 1-DECENE
-124.69
270 CYCLOHEXENE
-4.6
303 1,3-BUTADIENE
109.24
309 2-METHYL-1,3-BUTADIENE (Isoprene)
401 ACETYLENE
226.731
Aromatics
501 BENZENE
82.88
502 TOLUENE
50.17

Ideal Gas Heat Capacity Constants

-50.45
-31.86
-24.29
-16.57
-20.8781
-8.65

19.25
5.409
-4.224
9.487
-1.39
-3.626
-9.525
-16.59
-4.413
-5.146
-6.096

5.21E-02
1.78E-01
3.06E-01
3.31E-01
3.85E-01
4.87E-01
5.07E-01
5.55E-01
5.28E-01
6.76E-01
7.71E-01

1.20E-05
-6.94E-05
-1.59E-04
-1.11E-04
-1.85E-04
-2.58E-04
-2.73E-04
-3.31E-04
-3.12E-04
-3.65E-04
-4.20E-04

-8.374
-7.913
-9.328
-1.10E+01
-1.30E+01

8.73E-01
9.61E-01
1.149
1.338
1.529

-4.82E-04
-5.29E-04
-6.35E-04
-7.42E-04
-8.54E-04

38.8693
35.7732
31.7566
27.2797
85.8138
73.4292

-5.36E+01
-5.01E+01
-5.45E+01
-6.19E+01

5.43E-01
6.38E-01
6.11E-01
7.84E-01

-3.03E-04
-3.64E-04
-2.52E-04
-4.44E-04

68.43
62.14
70.24
65.5
63.4
57

3.806
3.71
-2.994

1.57E-01 -8.35E-05
2.35E-01 -1.16E-04
3.53E-01 -1.99E-04

1.61E+01
-1.34E-01

2.80E-01 -1.09E-04
4.33E-01 -2.32E-04

209.2

-1.687
-3.412
2.68E+01

3.42E-01 -2.34E-04
4.59E-01 -3.34E-04
7.58E-02 -5.01E-05

129.75
122.29

-3.39E+01
-2.44E+01

4.74E-01 -3.02E-04
5.13E-01 -2.77E-04

-0.16736
8.2
16.4013
13.6817
24.97
33.18

82.15

87.4456
119.83
106.859
149.73

Page 3

Pure Data

504 ETHYLBENZENE
29.92
130.73
505 1,2-DIMETHYL BENZENE
19
122.22
506 1,3-DIMETHYL BENZENE
17.24
119
507 1,4-DIMETHYL BENZENE
17.95
121.26
510 ISOPROPYLBENZENE (Cumene) 3.93
137.15
558 DIPHENYL
182.42
281.08
601 PHENYLETHENE
147.36 213.802
701 NAPHTHALENE
150.959 223.593
702 1-METHYLNAPHTHALENE
706 1,2,3,4-TETRAHYDRONAPHTHALENE
24.2(Tetralin)
167.1
803 INDENE
163.28
233.97
805 PHENANTHRENE
206.9
308.1
Oxygenated Hydrocarbons
1001 FORMALDEHYDE
-117.152 -112.968
1002 ACETALDEHYDE
-166.021 -133.302
1052 2-BUTANONE
-239
-151.9
1051 ACETONE
-215.7
-151.2
1101 METHANOL
-200.94
-162.24
1102 ETHANOL
-234.95
-167.73
1103 PROPANOL
-255.2 -161.795
1104 2-PROPANOL
-272.295 -173.385
1105 1-BUTANOL
-274.6 -150.666
1107 ISOBUTANOL
1114 1-HEXANOL
-316.5 -135.562
1181 PHENOL
-96.3993 -32.8988
1201 ETHYLENE GLYCOL
-392.878
-304.47
1211 PROPYLENE GLYCOL
-425.429 -304.483
1251 ACETIC ACID
-434.425 -376.685
1256 BUTYRIC ACID
-475
-355
1281 BENZOIC ACID
-294.1 -210.413
1289 TEREPHTHALIC ACID
-663.331 -597.179
1312 METHYL ACETATE
-408.8
-321.5
1313 ETHYL ACETATE
-444.5
-327.4
1381 DIMETHYL TEREPHTHALATE -643.583 -473.646
1479 TETRAHYDROFURAN(THF)
1402 DIETHYL ETHER
-252
-122
1403 ISOPROPYL ETHER
-318.821
-121.88
ETHYLENE OXIDE
Halocarbons
1501 CARBON TETRACHLORIDE -95.8136 -60.6261
1502 METHYL CHLORIDE
-80.7512 -62.8855
1503 ETHYL CHLORIDE
-112.26 -59.9986
1511 DICHLOROMETHANE
-95.3952 -68.8687
1521 CHLOROFORM(CHCl3)
-103.345 -68.5339
CHLOROBENZENE
1591 VINYLIDENE CHLORIDE(1,1-C2H2Cl2)
2.38
25.39
1601 FREON-12(CCl2F2)
-493.294 -453.964
FREON-22(CClF2)
FREON-11(CCl3F)
FREON-113(C2Cl3F3)
Gases
899 NITROUS OXIDE
82.05 103.638

Page 4

-4.31E+01
-1.59E+01
-2.92E+01
-1.509
-3.39E+01
-9.71E+01

7.07E-01
5.96E-01
6.30E-01
6.04E-01
7.84E-01
1.106

-6.88E+01
-6.48E+01

8.50E-01 -6.51E-04
9.39E-01 -6.94E-04

1.09E+01
6.301
21.15
9.014
2.47
3.24E+01
3.266
-7.708

3.56E-01
2.61E-01
7.09E-02
2.14E-01
3.33E-01
1.89E-01
4.18E-01
4.69E-01

-4.81E-04
-3.44E-04
-3.75E-04
-3.37E-04
-5.09E-04
-8.86E-04

-1.90E-04
-1.25E-04
2.59E-05
-8.39E-05
-1.86E-04
6.41E-05
-2.24E-04
-2.88E-04

4.84

2.55E-01 -1.75E-04

1.91E+01
2.14E+01

5.16E-01 -4.13E-04
3.36E-01 -1.04E-04

-7.519

2.22E-01 -1.26E-04

4.07E+01
1.39E+01

2.05E-01 -2.27E-04
1.01E-01 -3.89E-05

2.40E+01
-3.39E+01

1.89E-01 -1.84E-04
5.63E-01 -4.52E-04

3.16E+01
1.73E+01
4.10E+01
6.11E+01

1.78E-01
1.62E-01
1.67E-01
2.87E-01

-1.51E-04
-1.17E-04
-1.42E-04
-2.42E-04

2.16E+01

7.28E-02 -5.78E-05

Pure Data

901 OXYGEN
902 HYDROGEN (equilibrium)
905 NITROGEN
908 CARBON MONOXIDE
909 CARBON DIOXIDE
910 SULFUR DIOXIDE
911 SULFUR TRIOXIDE
912 NITRIC OXIDE
913 HELIUM-4
914 ARGON
917 FLUORINE
918 CHLORINE
919 NEON
920 KRYPTON
922 BROMINE
959 XENON
Nitrogen and Sulfur Gases
1904 HYDROGEN CHLORIDE
1922 HYDROGEN SULFIDE
1938 CARBON DISULFIDE
HYDRAZINE(N2H4)
HYDROGEN CYANIDE
Miscellaneous Compounds
1701 METHYLAMINE
1704 ETHYLAMINE
1772 ACETONITRILE
1801 METHANETHIOL
1802 ETHANETHIOL
1820 DIMETHYL SULFIDE
1877 UREA
1901 SULFURIC ACID
1902 PHOSPHORIC ACID
1903 NITRIC ACID
1911 AMMONIA
1912 SODIUM HYDROXIDE
1921 WATER

0
0
0
-110.53
-393.51
-296.81

0
0
0
-137.16
-394.38
-300.14

90.25
0
0
0
0
0
0
0

86.58
0
0
0
0
0
0
0

-92.3074
-20.63
116.943

-95.2864
-33.284
66.9063

-23
-48.6599

32.0913
37.2794

-22.6
-46
-37.2
245.81
-740.568
-1250.22
-133.863
-45.94
-197.757
-241.835

-9.5
-4.5
7.4
-152.716
-653.469
-1106.42
-73.4459
-16.4013
-200.46
-228.614

Page 5

2.81E+01
2.71E+01
3.12E+01
3.09E+01
1.98E+01
2.39E+01
1.92E+01
2.94E+01
2.08E+01
2.08E+01
2.69E+01
2.08E+01
2.08E+01
3.39E+01
2.08E+01

-3.68E-06
9.27E-03
-1.36E-02
-1.29E-02
7.34E-02
6.70E-02
1.37E-01
-9.38E-04

1.75E-05
-1.38E-05
2.68E-05
2.79E-05
-5.60E-05
-4.96E-05
-1.18E-04
9.75E-06

3.38E-02 -3.87E-05

1.13E-02 -1.19E-05

3.07E+01 -7.20E-03 1.25E-05

3.19E+01 1.44E-03 2.43E-05
2.74E+01 8.13E-02 -7.67E-05
9.768 1.90E-01 -1.66E-04
2.19E+01 6.06E-02 -4.96E-05

2.05E+01

1.20E-01 -4.49E-05

2.73E+01

2.38E-02

1.71E-05

32.24

1.92E-03

1.06E-05

Pure Data

al... Values....

D
1.52E-08

-1.13E-08
8.71E-09
3.22E-08
-2.82E-09
2.90E-08
5.31E-08
5.72E-08
7.63E-08
6.49E-08
7.66E-08
8.86E-08
1.03E-07
1.13E-07
1.36E-07
1.60E-07
1.85E-07
6.49E-08
8.01E-08
1.32E-08
9.37E-08

1.76E-08
2.21E-08
4.46E-08

9.10E-09
4.68E-08

6.34E-08
1.00E-07
1.41E-08
7.13E-08
4.91E-08

Page 6

Pure Data

1.30E-07
7.53E-08
8.48E-08
6.82E-08
1.29E-07
2.79E-07
1.98E-07
2.02E-07

3.92E-08
2.04E-08
-2.85E-08
1.37E-09
4.30E-08
-9.26E-08
4.69E-08
7.23E-08

4.95E-08

1.45E-07
-9.36E-09
2.59E-08
8.84E-08
2.57E-09

6.66E-08
1.43E-07
4.34E-08
3.06E-08
4.15E-08
6.90E-08
1.83E-08

Page 7

Pure Data

-1.07E-08
7.65E-09
-1.17E-08
-1.27E-08
1.72E-08
1.33E-08
3.70E-08
-4.19E-09

1.55E-08

4.53E-09

-3.90E-09
-1.18E-08
2.67E-08
6.03E-08
1.82E-08

3.20E-09

-1.19E-08
-3.60E-09

Page 8