Tricyclo[4.1.0.0(2,7)]heptane

• Formula: C₇H₁₀
• Molecular weight: 94.1543
• IUPAC Standard InChI: InChI=1S/C7H10/c1-2-4-6-5(3-1)7(4)6/h4-7H,1-3H2 Copy

  
• IUPAC Standard InChIKey: HTEFASNITGSEJD-UHFFFAOYSA-N Copy
• CAS Registry Number: 287-13-8
• 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.
• Other names: Tricyclo[3.1.1.0(6,7)]heptane
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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

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

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By formula: C₇H₁₀ = C₇H₁₀

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 C₇H₁₀⁺ (ion structure unspecified)

Ionization energy determinations

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]

Wiberg and Connon, 1976
Wiberg, K.B.; Connon, H.A., Enthalpy of the metal catalyzed isomerizations of quadricyclane and of tricyclo[4.1.0.0_2,7]heptane, J. Am. Chem. Soc., 1976, 98, 5411-5412. [all data]

Bischof, Gleiter, et al., 1978
Bischof, P.; Gleiter, R.; Taylor, R.T.; Browne, A.R.; Paquette, L.A., Electronic structure of tricyclo[4.1.0.0_2,7]hept-3-enes. Correlation with the regioselectivity of electrophilic attack, J. Org. Chem., 1978, 43, 2391. [all data]

Bischof, Gleiter, et al., 1976
Bischof, P.; Gleiter, R.; Muller, E., The electronic structure of benzvalene, Tetrahedron, 1976, 32, 2769. [all data]

Notes

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• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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