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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
Δfgas99.300kcal/molReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
gas,1 bar43.138cal/mol*KReviewChase, 1998Data last reviewed in March, 1978

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 3133.345 to 6000.
A 2.698980
B 1.670581
C -0.265369
D 0.029243
E 1.359771
F 101.2280
G 49.32101
H 99.30010
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

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
Δfliquid2.964kcal/molReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar8.308cal/mol*KReviewChase, 1998Data last reviewed in March, 1978

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 1809. to 3133.345
A 11.00000
B -4.504460×10-9
C 1.456680×10-9
D -1.587071×10-10
E -1.970870×10-9
F -2.582560
G 17.33770
H 2.962481
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 700.700. to 1042.1042. to 1100.1100. to 1809.298. to 1809.
A 4.404561-13806.80-77.88860-185.64505.730041
B 5.88982132963.606.914140219.74201.999941
C -2.130430-29343.500.000000-91.710900.000066
D 2.3099209245.3200.00000013.64280-0.000021
E -0.003022954.369098.4615057.87211-0.000001
F -1.5709905754.940178.2560166.73600.064060
G 10.16130-20880.5057.80990-133.453014.83350
H 0.0000000.0000000.0000000.0000001.861381
ReferenceChase, 1998Chase, 1998Chase, 1998Chase, 1998Chase, 1998
Comment α-δ phase; Data last reviewed in March, 1978 α-δ phase; Data last reviewed in March, 1978 α-δ phase; Data last reviewed in March, 1978 α-δ phase; Data last reviewed in March, 1978 γ phase; Data last reviewed in March, 1978

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.

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