Pure Data

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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 5.5860E-02 -4.5482E-05
CALCIUM CARBONATE
-1206.92
-1128.79
CALCIUM OXIDE
-635.09
-604.03
Data for Gases
Paraffins
1 METHANE
-74.8936
2 ETHANE
-83.8200
3 PROPANE
-104.6800
4 n-BUTANE
-125.7900
5 ISOBUTANE
-134.9900
7 n-PENTANE
-146.7600
8 ISOPENTANE
-153.7000
9 NEOPENTANE (2,2-Dimethylpropane)
-168.1100
11 n-HEXANE
-166.9200
17 n-HEPTANE
-187.8000
27 n-OCTANE
-208.7500
41 ISOOCTANE
-224.0100
46 n-NONANE
-228.7400
56 n-DECANE
-249.4600
64 n-DODECANE
-290.7900
66 n-TETRADECANE
-332.0500
68 n-HEXADECANE
-374.1700
Naphthenes
104 CYCLOPENTANE
-78.4000
105 METHYLCYCLOPENTANE
-106.0230
137 CYCLOHEXANE
-123.3000
138 METHYLCYCLOHEXANE
-154.7660
153 cis-DECALIN
-168.9500
154 trans-DECALIN
-182.2970
Olefins and Acetylene
201 ETHYLENE
52.5100
202 PROPYLENE
19.7100
204 1-BUTENE
-0.5400
205 cis-2-BUTENE
-7.4000
206 trans-2-BUTENE
-11.0000
207 ISOBUTENE (Isobutylene)
-17.1000
209 1-PENTENE
-21.3000
216 1-HEXENE
-41.6700
260 1-DECENE
-124.6900
270 CYCLOHEXENE
-4.6000
303 1,3-BUTADIENE
109.2400
309 2-METHYL-1,3-BUTADIENE (Isoprene)
401 ACETYLENE
226.7310
Aromatics
501 BENZENE
82.8800
502 TOLUENE
50.1700

Ideal Gas Heat Capacity Constants

-50.4500
-31.8600
-24.2900
-16.5700
-20.8781
-8.6500
-13.8600
-15.2400
-0.1674
8.2000
16.4013
13.6817
24.9700
33.1800
49.5300
66.0900
82.1500

19.2500
5.4090
-4.2240
9.4870
-1.3900
-3.6260
-9.5250
-16.5900
-4.4130
-5.1460
-6.0960

5.2130E-02
1.7810E-01
3.0630E-01
3.3130E-01
3.8470E-01
4.8730E-01
5.0660E-01
5.5520E-01
5.2800E-01
6.7620E-01
7.7120E-01

1.1970E-05
-6.9380E-05
-1.5860E-04
-1.1080E-04
-1.8460E-04
-2.5800E-04
-2.7290E-04
-3.3060E-04
-3.1190E-04
-3.6510E-04
-4.1950E-04

-8.3740
-7.9130
-9.3280
-10.9800
-13.0200

8.7290E-01
9.6090E-01
1.1490E+00
1.3380E+00
1.5290E+00

-4.8230E-04
-5.2880E-04
-6.3470E-04
-7.4230E-04
-8.5370E-04

38.8693
35.7732
31.7566
27.2797
85.8138
73.4292

-53.6200
-50.1100
-54.5400
-61.9200

5.4260E-01
6.3810E-01
6.1130E-01
7.8420E-01

-3.0310E-04
-3.6420E-04
-2.5230E-04
-4.4380E-04

68.4300
62.1400
70.2400
65.5000
63.4000
57.0000
78.6000
87.4456
119.8300
106.8590
149.7300

3.8060 1.5660E-01 -8.3480E-05

3.7100 2.3450E-01 -1.1600E-04
-2.9940 3.5320E-01 -1.9900E-04

16.0500 2.8040E-01 -1.0910E-04

-0.1340 4.3290E-01 -2.3170E-04

209.2000

-1.6870 3.4190E-01 -2.3400E-04

-3.4120 4.5850E-01 -3.3370E-04
26.8200 7.5780E-02 -5.0070E-05

129.7500
122.2900

-33.9200 4.7390E-01 -3.0170E-04

-24.3500 5.1250E-01 -2.7650E-04

Page 1

Pure Data

504 ETHYLBENZENE
29.9200 130.7300
505 1,2-DIMETHYL BENZENE
19.0000 122.2200
506 1,3-DIMETHYL BENZENE
17.2400 119.0000
507 1,4-DIMETHYL BENZENE
17.9500 121.2600
510 ISOPROPYLBENZENE (Cumene) 3.9300 137.1500
558 DIPHENYL
182.4200 281.0800
601 PHENYLETHENE
147.3600 213.8020
701 NAPHTHALENE
150.9590 223.5930
702 1-METHYLNAPHTHALENE
-282.9000 -167.4000
706 1,2,3,4-TETRAHYDRONAPHTHALENE
24.2000
(Tetralin)
167.1000
803 INDENE
163.2800 233.9700
805 PHENANTHRENE
206.9000 308.1000
Oxygenated Hydrocarbons
1001 FORMALDEHYDE
-117.1520 -112.9680
1002 ACETALDEHYDE
-166.0210 -133.3020
1052 2-BUTANONE
-239.0000 -151.9000
1051 ACETONE
-215.7000 -151.2000
1101 METHANOL
-200.9400 -162.2400
1102 ETHANOL
-234.9500 -167.7300
1103 PROPANOL
-255.2000 -161.7950
1104 2-PROPANOL
-272.2950 -173.3850
1105 1-BUTANOL
-274.6000 -150.6660
1107 ISOBUTANOL
-282.9000 -167.4000
1114 1-HEXANOL
-316.5000 -135.5620
1181 PHENOL
-96.3993
-32.8988
1201 ETHYLENE GLYCOL
-392.8780 -304.4700
1211 PROPYLENE GLYCOL
-425.4290 -304.4830
1251 ACETIC ACID
-434.4250 -376.6850
1256 BUTYRIC ACID
-475.0000 -355.0000
1281 BENZOIC ACID
-294.1000 -210.4130
1289 TEREPHTHALIC ACID
-663.3310 -597.1790
1312 METHYL ACETATE
-408.8000 -321.5000
1313 ETHYL ACETATE
-444.5000 -327.4000
1381 DIMETHYL TEREPHTHALATE -643.5830 -473.6460
1479 TETRAHYDROFURAN(THF) -184.1800
-79.5700
1402 DIETHYL ETHER
-252.0000 -122.0000
1403 ISOPROPYL ETHER
-318.8210 -121.8800
ETHYLENE OXIDE
Halocarbons
1501 CARBON TETRACHLORIDE
-95.8136
-60.6261
1502 METHYL CHLORIDE
-80.7512
-62.8855
1503 ETHYL CHLORIDE
-112.2600
-59.9986
1511 DICHLOROMETHANE
-95.3952
-68.8687
1521 CHLOROFORM(CHCl3)
-103.3450
-68.5339
CHLOROBENZENE
51.0900
98.3600
1591 VINYLIDENE CHLORIDE(1,1-C2H2Cl2)
2.3800
25.3900
1601 FREON-12(CCl2F2)
-493.2940 -453.9640
FREON-22(CClF2)
-482.8000 -451.7000
FREON-11(CCl3F)
-283.7000 -244.4000
FREON-113(C2Cl3F3)
-705.8000 -627.3000
Gases
899 NITROUS OXIDE
82.0500 103.6380

Page 2

-43.1000
-15.8500
-29.1700
-1.5090
-33.9360
-97.0700

7.0720E-01
5.9620E-01
6.2970E-01
6.0420E-01
7.8420E-01
1.1060E+00

-4.8110E-04
-3.4430E-04
-3.7470E-04
-3.3740E-04
-5.0870E-04
-8.8550E-04

-68.8000 8.4990E-01 -6.5060E-04

-64.8200 9.3870E-01 -6.9420E-04

10.9400
6.3010
21.1500
9.0140
2.4700
32.4300
3.2660
-7.7080

3.5590E-01
2.6060E-01
7.0920E-02
2.1410E-01
3.3250E-01
1.8850E-01
4.1800E-01
4.6890E-01

-1.9000E-04
-1.2530E-04
2.5870E-05
-8.3900E-05
-1.8550E-04
6.4060E-05
-2.2420E-04
-2.8840E-04

4.8400 2.5490E-01 -1.7530E-04

19.1000 5.1620E-01 -4.1320E-04

21.4200 3.3590E-01 -1.0350E-04
-7.5190 2.2220E-01 -1.2560E-04
40.7200 2.0490E-01 -2.2700E-04
13.8800 1.0140E-01 -3.8890E-05

24.0000 1.8930E-01 -1.8410E-04

-33.8900 5.6310E-01 -4.5220E-04
31.6000
17.3000
40.9800
61.1400

1.7820E-01
1.6180E-01
1.6680E-01
2.8740E-01

-1.5090E-04
-1.1700E-04
-1.4160E-04
-2.4200E-04

21.6200 7.2810E-02 -5.7780E-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

0.0000
0.0000
0.0000
-110.5300
-393.5100
-296.8100
-395.7200
90.2500
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000

0.0000
0.0000
0.0000
-137.1600
-394.3800
-300.1400
370.9300
86.5800
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000

28.1100
27.1400
31.1500
30.8700
19.8000
23.8500
19.2100
29.3500
20.8000
20.8000

-92.3074
-20.6300
116.9430

-95.2864
-33.2840
66.9063

30.6700
31.9400
27.4400
9.7680
21.8600

-23.0000
-48.6599

32.0913
37.2794

-3.6800E-06
9.2740E-03
-1.3570E-02
-1.2850E-02
7.3440E-02
6.6990E-02
1.3740E-01
-9.3780E-04

1.7460E-05
-1.3810E-05
2.6800E-05
2.7890E-05
-5.6020E-05
-4.9610E-05
-1.1760E-04
9.7470E-06

26.9300 3.3840E-02 -3.8690E-05

20.8000
20.8000
33.8600 1.1250E-02 -1.1920E-05
20.8000
-7.2010E-03 1.2460E-05
1.4360E-03 2.4320E-05
8.1270E-02 -7.6660E-05
1.8950E-01 -1.6570E-04
6.0620E-02 -4.9610E-05

20.4800 1.1960E-01 -4.4920E-05

-22.6000
-9.5000
-46.0000
-4.5000
-37.2000
7.4000
245.8100 -152.7160
-740.5680 -653.4690
-1250.2200 -1106.4200
-133.8630
-73.4459
-45.9400
-16.4013
-197.7570 -200.4600
-241.8350 -228.6140

Page 3

27.3100 2.3830E-02

1.7070E-05

32.2400 1.9240E-03

1.0550E-05

Pure Data

al... Values....

D
1.5171E-08

-1.1320E-08
8.7130E-09
3.2150E-08
-2.8220E-09
2.8950E-08
5.3050E-08
5.7230E-08
7.6330E-08
6.4940E-08
7.6580E-08
8.8550E-08
1.0310E-07
1.1310E-07
1.3590E-07
1.5980E-07
1.8500E-07
6.4850E-08
8.0140E-08
1.3210E-08
9.3660E-08

1.7550E-08
2.2050E-08
4.4630E-08

9.0980E-09
4.6810E-08

6.3350E-08
1.0000E-07
1.4120E-08
7.1300E-08
4.9110E-08

Page 4

Pure Data

1.3010E-07
7.5280E-08
8.4780E-08
6.8200E-08
1.2910E-07
2.7900E-07
1.9810E-07
2.0160E-07

3.9200E-08
2.0380E-08
-2.8520E-08
1.3730E-09
4.2960E-08
-9.2610E-08
4.6850E-08
7.2310E-08

4.9490E-08

1.4540E-07
-9.3570E-09
2.5920E-08
8.8430E-08
2.5670E-09

6.6570E-08
1.4260E-07
4.3420E-08
3.0580E-08
4.1460E-08
6.9040E-08
1.8300E-08

Page 5

Pure Data

-1.0650E-08
7.6450E-09
-1.1680E-08
-1.2720E-08
1.7150E-08
1.3280E-08
3.7000E-08
-4.1870E-09

1.5470E-08

4.5340E-09

-3.8980E-09
-1.1760E-08
2.6730E-08
6.0250E-08
1.8150E-08

3.2030E-09

-1.1850E-08
-3.5960E-09

Page 6