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1,3-Pentadiene, (Z)-

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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.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas19.77 ± 0.22kcal/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Deltacgas-763.30 ± 0.21kcal/molCmFraser and Prosen, 1955Corresponding «DELTA»fgas = 19.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas77.151cal/mol*KN/AMesserly J.F., 1970GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.0650.Thermodynamics Research Center, 1997Entropy values from other statistical thermodynamics calculation [ Compton D.A.C., 1977] are substantially lower (up to 14 J/mol*K) than recommended ones and experimental value of S(298.15 K). Discrepancies in Cp(T) values do not exceed 2.5 J/mol*K. Values of thermodynamic functions calculated from data for lower alkenes and alkadienes by a method of increments [ Kilpatrick J.E., 1949] agree with TRC values within 1-3 J/mol*K.; GT
13.03100.
15.21150.
17.57200.
21.69273.15
23.23298.15
23.34300.
29.496400.
35.043500.
39.763600.
43.762700.
47.18800.
50.12900.
52.631000.
54.831100.
56.721200.
58.341300.
59.781400.
60.991500.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J., Heats of combustion and isomerization of six pentadienes and spiropentane, J. Res. NBS, 1955, 54, 143-148. [all data]

Messerly J.F., 1970
Messerly J.F., Chemical thermodynamic properties of the pentadienes. Third law studies, J. Chem. Eng. Data, 1970, 15, 227-232. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Compton D.A.C., 1977
Compton D.A.C., Conformations of conjugated hydrocarbons. Part 2. A spectroscopic and thermodynamic study of cis- and trans-penta-1,3-diene, J. Chem. Soc. Perkin Trans. 2, 1977, 1311-1315. [all data]

Kilpatrick J.E., 1949
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the C3 to C5 diolefins, styrene, and the methylstyrenes, J. Res. Nat. Bur. Stand., 1949, 42, 225-240. [all data]


Notes

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