1,3,5-Cycloheptatriene

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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
Δfgas44.6kcal/molChydRoth, Bohm, et al., 1983ALS
Quantity Value Units Method Reference Comment
gas75.44 ± 0.25cal/mol*KN/AFinke H.L., 1956GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.11450.Dorofeeva O.V., 1986Recommended S(298.15 K) value agrees with experimental value within its uncertainty. Value of S(298.15 K) calculated by [ Evans M.V., 1960] is 2.4 J/mol*K larger than experimental one.; GT
10.10100.
13.27150.
16.98200.
23.18273.15
25.39 ± 0.84298.15
25.559300.
34.130400.
41.522500.
47.605600.
52.603700.
56.761800.
60.263900.
63.2311000.
65.7651100.
67.9351200.
69.8021300.
71.4131400.
72.8081500.

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.

Roth, Bohm, et al., 1983
Roth, W.R.; Bohm, M.; Lenhartz, H-W.; Vogel, E., Heats of hydrogenation. Part 5. Resonance energy of bridged [10]annulenes, Angew. Chem., 1983, 95, 1011-1012. [all data]

Finke H.L., 1956
Finke H.L., Cycloheptane, cyclooctane, and 1,3,5-cycloheptatriene. Low-temperature thermal properties, vapor pressure, and derived chemical thermodynamic properties, J. Am. Chem. Soc., 1956, 78, 5469-5476. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]

Evans M.V., 1960
Evans M.V., Vibrational spectra and structure of the tropilidene molecule, J. Am. Chem. Soc., 1960, 82, 1876-1882. [all data]


Notes

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