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Gas phase thermochemistry data

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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
Δfgas565. ± 5.kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas560.00kJ/molReviewChase, 1998Data last reviewed in June, 1983
Quantity Value Units Method Reference Comment
gas,1 bar153.436 ± 0.015J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar153.44J/mol*KReviewChase, 1998Data last reviewed in June, 1983

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) 4137.895 to 6000.
A 20.65193
B 0.226427
C -0.112330
D 0.016889
E 0.008714
F 553.8654
G 178.4179
H 559.9991
ReferenceChase, 1998
Comment Data last reviewed in June, 1983

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
Δfliquid48.93kJ/molReviewChase, 1998Data last reviewed in June, 1983
Quantity Value Units Method Reference Comment
liquid,1 bar26.54J/mol*KReviewChase, 1998Data last reviewed in June, 1983
Quantity Value Units Method Reference Comment
solid,1 bar5.90 ± 0.08J/mol*KReviewCox, Wagman, et al., 1984 rhombic 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) 2350. to 4137.895
A 31.75003
B 2.556177×10-7
C -6.456792×10-8
D 5.616644×10-9
E 2.705970×10-7
F 27.94205
G 46.94741
H 48.92686
ReferenceChase, 1998
Comment Data last reviewed in June, 1983

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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Temperature (K) 298. to 1800.1800. to 2350.
A 10.1857425.12664
B 29.244151.975493
C -18.021370.338395
D 4.212326-0.040032
E -0.550999-2.635578
F -6.036299-14.43597
G 7.08907725.59930
H 0.0000000.000000
ReferenceChase, 1998Chase, 1998
Comment β-rhombohedral phase; Data last reviewed in June, 1983 β-rhombohedral phase; Data last reviewed in June, 1983

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