Ethenol


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-30.6kcal/molIonTurecek and Havlas, 1986 
Δfgas-29.8 ± 2.0kcal/molIonHolmes and Lossing, 1982 
Δfgas-26.5 ± 2.0kcal/molIonHolmes, Terlouw, et al., 1976Appearance potential

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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C2H4O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.33 ± 0.01DERRuscic and Berkowitz, 1994LL
9.17 ± 0.05PEMatti, Osman, et al., 1989Anti-; LL
9.30 ± 0.05PEMatti, Osman, et al., 1989Syn-; LL
9.3 ± 0.1EIIraqi, Pri-Bar, et al., 1986LBLHLM
9.18PEAlbrecht, Allan, et al., 1984LBLHLM
9.14DERHolmes and Lossing, 1982, 2LBLHLM
9.0 ± 0.15EIHolmes, Terlouw, et al., 1976, 2LLK
9.52PEAlbrecht, Allan, et al., 1984Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+11.3 ± 0.1HEIIraqi, Pri-Bar, et al., 1986LBLHLM

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.

Turecek and Havlas, 1986
Turecek, F.; Havlas, Z., Thermochemistry of unstable enols: the O-(Cd)(H) group equivalent, J. Org. Chem., 1986, 51, 4066-4067. [all data]

Holmes and Lossing, 1982
Holmes, J.L.; Lossing, F.P., Heats of formation of the ionic and neutral enols of acetaldehyde and acetone, J. Am. Chem. Soc., 1982, 104, 2648-2649. [all data]

Holmes, Terlouw, et al., 1976
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P., The thermochemistry of C2H4O.+ ions, J. Phys. Chem., 1976, 80, 2860-2862. [all data]

Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J., The heats of formation of some C2H5O+ isomers, relevant bond energies in ethanol and PA(CH3CHO), J. Chem. Phys., 1994, 101, 10936. [all data]

Matti, Osman, et al., 1989
Matti, G.Y.; Osman, O.I.; Upham, J.E.; Suffolk, R.J., Photoelectron spectroscopic detection of vinyl alcohol, CH2=CHOH: Evidence for the syn and anti rotamers, J. Electron Spectrosc. Relat. Phenom., 1989, 49, 195. [all data]

Iraqi, Pri-Bar, et al., 1986
Iraqi, M.; Pri-Bar, I.; Lifshitz, C., Electron impact ionization of unstable enols: H2C=CHOH, H2C=C(OH)-CH3 and H2C=C(OH)-C2H5, Org. Mass Spectrom., 1986, 21, 661. [all data]

Albrecht, Allan, et al., 1984
Albrecht, B.; Allan, M.; Haselbach, E.; Neuhaus, L.; Carrupt, P.-A., 26. Molecular ions of transient species: Vinyl-alcohol cation, Helv. Chim. Acta, 1984, 67, 216. [all data]

Holmes and Lossing, 1982, 2
Holmes, J.L.; Lossing, F.P., Heats of formation of the ionic and neutral enols of acetaldehyde and acetone, J. Am. Chem. Soc., 1982, 104, 2648. [all data]

Holmes, Terlouw, et al., 1976, 2
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P., The thermochemistry of C2H4O+ ions, J. Phys. Chem., 1976, 80, 2860. [all data]


Notes

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