7-Methylcycloheptatriene

• Formula: C₈H₁₀
• Molecular weight: 106.1650
• IUPAC Standard InChI: InChI=1S/C8H10/c1-8-6-4-2-3-5-7-8/h2-8H,1H3 Copy

  
• IUPAC Standard InChIKey: OQWAEQHNVGGBHL-UHFFFAOYSA-N Copy
• CAS Registry Number: 4281-04-3
• 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:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C₈H₉^- +  =

By formula: C₈H₉^- + H⁺ = C₈H₁₀

=

By formula: C₈H₁₀ = C₈H₁₀

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:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₈H₁₀⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₈H₉^- +  =

By formula: C₈H₉^- + H⁺ = C₈H₁₀

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, NIST Subscription Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Mishima, Kinoshita, et al., 2002
Mishima, M.; Kinoshita, T.; Hattori, Y.; Takeuchi, K., Gas-phase acidities of cycloheptatrienes: effects of alkyl groups on the stability of carbanions, Eur. J. Mass Spectrom., 2002, 8, 1, 359-366, https://doi.org/10.1255/ejms.499 . [all data]

Egger, 1968
Egger, K.W., The thermal intramolecular rearrangement of methyl-1,3,5-cycloheptatrienes in the gas phase. II. thermodynamic data from equilibrium studies of the positional isomers, J. Am. Chem. Soc., 1968, 90, 1-5. [all data]

Meyer, Haynes, et al., 1965
Meyer, F.; Haynes, P.; McLean, S.; Harrison, A.G., An electron impact study of some C₈H₁₀ isomers, Can. J. Chem., 1965, 43, 211. [all data]

Harrison, Honnen, et al., 1960
Harrison, A.G.; Honnen, L.R.; Dauben, H.J., Jr.; Lossing, F.P., Free radicals by mass spectrometry. XX. Ionization potentials of cyclopentadienyl and cycloheptatrienyl radicals, J. Am. Chem. Soc., 1960, 82, 5593. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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