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Bicyclo[4.1.0]hepta-1,3,5-triene


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

Bicyclo[4.1.0]hepta-1,3,5-triene + Methyl Alcohol = Benzene, (methoxymethyl)-

By formula: C7H6 + CH4O = C8H10O

Quantity Value Units Method Reference Comment
Deltar-51.1kcal/molCmBillups, Chow, et al., 1973liquid phase; solvent: Methanol

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C7H6+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.82PELecoultre, Heilbronner, et al., 1988Vertical value; LL
8.82PEBrogli, Giovannini, et al., 1973Vertical value; LLK

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin ASES Database, Dalian Institute, P.R. China
NIST MS number 144804

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References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Billups, Chow, et al., 1973
Billups, W.E.; Chow, W.Y.; Leavell, K.H.; Lewis, E.S.; Margrave, J.L.; Sass, R.L.; Shieh, J.J.; Werness, P.G.; Wood, J.L., Structure and thermochemistry of benzocyclopropenes. Bond fixation and strain energy, J. Am. Chem. Soc., 1973, 95, 7878-7880. [all data]

Lecoultre, Heilbronner, et al., 1988
Lecoultre, J.; Heilbronner, E.; Muller, P.; Rodriguez, D., The influence of fluoro substituents on cyclopropa, -benzene, -naphthalene, and -anthracene, Collect. Czech. Chem. Commun., 1988, 53, 2385. [all data]

Brogli, Giovannini, et al., 1973
Brogli, F.; Giovannini, E.; Heilbronner, E.; Schurter, R., Die photoelektronen spektren der benzocycloalkene, Chem. Ber., 1973, 106, 961. [all data]


Notes

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