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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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
Δfgas46.7 ± 0.2kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas46.654kcal/molReviewChase, 1998Data last reviewed in March, 1962
Quantity Value Units Method Reference Comment
gas,1 bar41.916 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar41.914cal/mol*KReviewChase, 1998Data last reviewed in March, 1962

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) 2019.022 to 6000.
A -20.47290
B 16.55870
C -3.182959
D 0.200772
E 17.48260
F 79.67220
G 40.64080
H 46.65399
ReferenceChase, 1998
Comment Data last reviewed in March, 1962

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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
Δfliquid1.02kcal/molReviewChase, 1998Data last reviewed in March, 1962
Quantity Value Units Method Reference Comment
liquid,1 bar17.14cal/mol*KReviewChase, 1998Data last reviewed in March, 1962
Quantity Value Units Method Reference Comment
solid,1 bar15.49 ± 0.072cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid15.48cal/mol*KReviewChase, 1998Data last reviewed in March, 1962

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) 600.6 to 2019.022
A 9.083292
B -3.494859
C 1.734100
D -0.246981
E -0.079057
F -1.898740
G 28.39369
H 1.023660
ReferenceChase, 1998
Comment Data last reviewed in March, 1962

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 600.6
A 5.978609
B 1.300631
C 0.970690
D -0.295462
E -0.002547
F -1.857691
G 22.27510
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in March, 1962

Phase change data

Go To: Top, Gas phase thermochemistry data, 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.

Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tfus600.64KN/AAnonymous, 1988Uncertainty assigned by TRC = 0.005 K; nominal value, from the catalog
Tfus600.08KN/ACallanan, Sullivan, et al., 1985Uncertainty assigned by TRC = 0.3 K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Anonymous, 1988
Anonymous, X., , NBS Spec. Publ. (U. S.) 260, 1988. [all data]

Callanan, Sullivan, et al., 1985
Callanan, J.E.; Sullivan, S.A.; Vecchia, D.F., Feasibility Study for the Development of Standards Using Differential Scanning Calorimetry, Natl. Bur. Stand. Spec. Publ. 260-99 1985, 1985. [all data]


Notes

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