Bicyclo[2.1.1]hexane


Phase change 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: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil344.KN/ABuckingham and Donaghy, 1982 

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

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Individual Reactions

Hydrogen + Bicyclo[2.1.1]hex-2-ene = Bicyclo[2.1.1]hexane

By formula: H2 + C6H8 = C6H10

Quantity Value Units Method Reference Comment
Δr-40.8 ± 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C6H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.7PEDella, Pigou, et al., 1984LBLHLM
10.5PEDella, Pigou, et al., 1984Vertical value; LBLHLM

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.

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

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]

Della, Pigou, et al., 1984
Della, E.W.; Pigou, P.E.; Livett, M.K.; Peel, J.B., The photoelectron spectrum and molecular geometry of bicyclo[2.1.1]hexane, J. Electron Spectrosc. Relat. Phenom., 1984, 33, 163. [all data]


Notes

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