Bicyclo[2.2.1]hept-2-en-5-one


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C7H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)845.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity813.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.86PEHentrich, Gunkel, et al., 1974Vertical value; LLK
8.90 ± 0.02PEChadwick, Frost, et al., 1971Vertical value; LLK

Gas Chromatography

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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

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-5931.Plettner, Mohle, et al., 200530. m/0.25 mm/0.25 μm; Program: 50C(5min) => 5C/min => 100C(4min) => 50C/min => 250C(20min)

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

Chadwick, Frost, et al., 1971
Chadwick, D.; Frost, D.C.; Weiler, L., Photoelectron spectra of norbornanones and norbornenones, J. Am. Chem. Soc., 1971, 93, 4962. [all data]

Plettner, Mohle, et al., 2005
Plettner, E.; Mohle, A.; Mwangi, M.T.; Griscti, J.; Patrick, B.O.; Nair, R.; Batchelor, R.J.; Einstein, F., 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2-chlorobicyclo[2.2.1]heptane-2-carboxamide as precursors of bicyclo[2.2.1]hept-5-en-2-one and bicyclo[2.2.1]heptan-2-one: resolution, absolute configuration and hydrogen-bonding properties, Tetrahedron: Asymmetry, 2005, 16, 16, 2754-2763, https://doi.org/10.1016/j.tetasy.2005.07.016 . [all data]


Notes

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