Bicyclo[2.2.2]octanone


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

Quantity Value Units Method Reference Comment
Δfgas-218. ± 8.4kJ/molCcbSteele, 1979 
Δfgas-222. ± 5.4kJ/molCcbBecker and Roth, 1934Heat of formation derived by Cox and Pilcher, 1970

Condensed 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

Quantity Value Units Method Reference Comment
Δfliquid-274. ± 4.6kJ/molCcbBecker and Roth, 1934Heat of formation derived by Cox and Pilcher, 1970
Quantity Value Units Method Reference Comment
Δcliquid-4589.0kJ/molCcbBecker and Roth, 1934Corresponding Δfliquid = -274. kJ/mol (simple calculation by NIST; no Washburn corrections)

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δvap52. ± 2.kJ/molVBecker and Roth, 1934Heat of formation derived by Cox and Pilcher, 1970

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

Ionization energy determinations

IE (eV) Method Reference Comment
8.8PECarnovale, Gan, et al., 1981LLK
9.07 ± 0.05PECarnovale, Gan, et al., 1981Vertical value; LLK
9.10PEHentrich, Gunkel, et al., 1974Vertical 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 CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305
NIST MS number 46409

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Steele, 1979
Steele, W.V., Thermochemically determined ΔH°f(g) values for ketones and alcohols, Private Communication, University of Stirling, Stirling, Scotland, 1979, 0. [all data]

Becker and Roth, 1934
Becker, G.; Roth, W.A., Verbrennungswarmen einiger cyclischer kohlenwasserstoffe, Ber., 1934, 67, 627-632. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Carnovale, Gan, et al., 1981
Carnovale, F.; Gan, R.-H.; Peel, J.B.; Holmes, A.B., Photoelectron spectroscopic studies of some 2-azabicyclo[2.2.2]octan-5-one and Bicyclo[2.2.2]octanone derivatives, J. Chem. Soc. Perkin Trans. 2, 1981, 7, 991. [all data]

Hentrich, Gunkel, et al., 1974
Hentrich, G.; Gunkel, E.; Klessinger, M., Photoelektronenspektren organischer verbindungen. 4. Photoelektronenspektren ungesattigter carbonylverbindungen, J. Mol. Struct., 1974, 21, 231. [all data]


Notes

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