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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Deltafgas277.17 ± 0.15kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas276.98kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar167.829 ± 0.006J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar167.83J/mol*KReviewChase, 1998Data last reviewed in September, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 882.117 - 1400.1400. - 6000.
A 27.4596816.55345
B -13.327842.400266
C 10.06574-0.255760
D -2.6623810.005821
E -0.0558513.564793
F 269.1149278.4356
G 204.2955194.5447
H 276.9804276.9804
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Deltafliquid1.85kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
liquid,1 bar36.85J/mol*KReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
solid,1 bar32.054 ± 0.050J/mol*KReviewCox, Wagman, et al., 1984rhombic phase; CODATA Review value

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 388.36 - 432.432. - 882.117
A -4540.970-37.93350
B 26065.60133.2420
C -55520.70-95.32450
D 42012.2024.00940
E 54.588607.654530
F 787.807029.78810
G -10826.30-13.15340
H 1.8537811.853781
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977

Solid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 388.36298. - 388.36
A 21.2197824.23749
B 3.865858-4.983060
C 22.2746133.00900
D -10.31908-15.29616
E -0.122518-0.182237
F -7.085604-7.516263
G 54.9957561.49141
H 0.0000000.360001
ReferenceChase, 1998Chase, 1998
Comment orthorhombic phase; Data last reviewed in September, 1977 monoclinic phase; Data last reviewed in September, 1977

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References