1,4-Cyclohexadiene,3,6-bis(methylene)-

• Formula: C₈H₈
• Molecular weight: 104.1491
• IUPAC Standard InChI: InChI=1S/C8H8/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H2 Copy

  
• IUPAC Standard InChIKey: NRNFFDZCBYOZJY-UHFFFAOYSA-N Copy
• CAS Registry Number: 502-86-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
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  • 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

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₈H₈⁺ (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.

Pollack, Raine, et al., 1981
Pollack, S.K.; Raine, B.C.; Hehre, W.J., Determination of the heats of formation of the isomeric xylylenes by ion cyclotron double-resonance spectroscopy, J. Am. Chem. Soc., 1981, 103, 6308-6313. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Dewar, 1982
Dewar, M.J.S., Ionization energies of p-quinodimethane and 2,5-dimethyl-p-quinodimethane, J. Am. Chem. Soc., 1982, 104, 1447. [all data]

Koenig, Wielesek, et al., 1975
Koenig, T.; Wielesek, R.; Snell, W.; Balle, T., Helium(I) photoelectron spectrum of p-quinodimethane, J. Am. Chem. Soc., 1975, 97, 3225. [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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