Ethenol

• Formula: C₂H₄O
• Molecular weight: 44.0526
• IUPAC Standard InChI: InChI=1S/C2H4O/c1-2-3/h2-3H,1H2 Copy

  
• IUPAC Standard InChIKey: IMROMDMJAWUWLK-UHFFFAOYSA-N Copy
• CAS Registry Number: 557-75-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: vinyl alcohol
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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

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

Appearance energy determinations

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes

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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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