1,5-Cyclooctadiene, (E,Z)-


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

Quantity Value Units Method Reference Comment
Δfgas158.kJ/molChydRoth, Adamczak, et al., 1991 
Δfgas162.kJ/molKinLeitich, 1979 
Δfgas156.kJ/molEqkMartin, Kunze, et al., 1979 

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

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Individual Reactions

2Hydrogen + 1,5-Cyclooctadiene, (E,Z)- = Cyclooctane

By formula: 2H2 + C8H12 = C8H16

Quantity Value Units Method Reference Comment
Δr-282. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C8H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.2PEMartin, Kunze, et al., 1979, 2LLK
8.7PEMartin, Kunze, et al., 1979, 2Vertical value; LLK

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, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Leitich, 1979
Leitich, J., Kinetics of the thermal dimerization and isomerization of cis,trans-1,5-cyclooctadiene in the gas phase and of related reactions. A simple algorithm to determine the rate constants of competing first- and second-order reactions, Int. J. Chem. Kinet., 1979, 11, 1249-1261. [all data]

Martin, Kunze, et al., 1979
Martin, H.D.; Kunze, M.; Beckhaus, H.D.; Walsh, R.; Gleiter, R., Small rings. 33. cis,trans-1,5-cyclooctadiene: thermolysis, strain energy and transannular interactions, Tetrahedron Lett., 1979, 3069-3072. [all data]

Martin, Kunze, et al., 1979, 2
Martin, H.-D.; Kunze, M.; Beckhaus, H.-D.; Walsh, R.; Gleiter, R., Cis, trans-1,5-Cyclooctadien Thermolyse, Spannungsenergie und transanulare Wechselwirkungen, Tetrahedron Lett., 1979, 33, 3069. [all data]


Notes

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