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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
Deltar-171. ± 0.4kJ/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

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

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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