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1,2-Propadiene-1,3-dione


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.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-22.38kcal/molReviewChase, 1998Data last reviewed in June, 1968
Deltafgas-23.38 ± 0.44kcal/molCcrKybett, Johnson, et al., 1965ALS
Quantity Value Units Method Reference Comment
gas,1 bar65.982cal/mol*KReviewChase, 1998Data last reviewed in June, 1968

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) 298. - 1200.1200. - 6000.
A 12.3882025.47230
B 19.617400.719032
C -10.73210-0.139989
D 2.1823100.009413
E -0.118302-2.884699
F -27.25189-36.62729
G 74.9174087.87349
H -22.38000-22.38000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1968 Data last reviewed in June, 1968

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.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-29.03 ± 0.24kcal/molCcrKybett, Johnson, et al., 1965 
Quantity Value Units Method Reference Comment
Deltacliquid-253.13kcal/molCcrKybett, Johnson, et al., 1965Corresponding «DELTA»fliquid = -29.02 kcal/mol (simple calculation by NIST; no Washburn corrections)

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]

Kybett, Johnson, et al., 1965
Kybett, B.D.; Johnson, G.K.; Barker, C.K.; Margrave, J.L., The heats of formation and polymerization of carbon suboxide, J. Phys. Chem., 1965, 69, 3603-3606. [all data]


Notes

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