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
Δfgas37.8kcal/molChydRoth, Adamczak, et al., 1991 
Δfgas38.7kcal/molKinLeitich, 1979 
Δfgas37.4kcal/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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

By formula: 2H2 + C8H12 = C8H16

Quantity Value Units Method Reference Comment
Δr-67.5 ± 0.1kcal/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

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 1407

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References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References