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

• Formula: C₈H₁₂
• Molecular weight: 108.1809
• IUPAC Standard InChI: InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7+ Copy

  
• IUPAC Standard InChIKey: VYXHVRARDIDEHS-CDTWYVJESA-N Copy
• CAS Registry Number: 5259-71-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • 1,5-Cyclooctadiene
  • 1,5-Cyclooctadiene, (Z,Z)-
  • 1,5-Cyclooctadiene, (E,E)-
• Other names: cis,trans-1,5-Cyclooctadiene; (E),(Z)-1,5-Cyclooctadiene; (1Z,5E)-Cyclooctadiene
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Gas phase ion energetics 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 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

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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