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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
Δfgas450. ± 8.kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas450.00kJ/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
gas,1 bar167.981 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar167.98J/mol*KReviewChase, 1998Data last reviewed in March, 1967

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) 3504.616 to 6000.
A 14.59321
B 5.224644
C -1.078879
D 0.074000
E 2.309405
F 450.3365
G 190.2494
H 450.0018
ReferenceChase, 1998
Comment Data last reviewed in March, 1967

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
Δfliquid48.47kJ/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
liquid,1 bar44.46J/mol*KReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
solid,1 bar18.81 ± 0.08J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid18.82J/mol*KReviewChase, 1998Data last reviewed in March, 1967

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) 1685. to 3504.616
A 27.19604
B -1.198306×10-10
C 5.353262×10-11
D -6.956612×10-12
E -4.294375×10-12
F 40.36163
G 77.37178
H 48.46997
ReferenceChase, 1998
Comment Data last reviewed in March, 1967

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. to 1685.
A 22.81719
B 3.899510
C -0.082885
D 0.042111
E -0.354063
F -8.163946
G 43.27846
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in March, 1967

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