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 ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X

Additional references: Jacox, 1994, page 363; Jacox, 2003, page 337; Saito, 1976; Rodler and Bauder, 1984

Notes

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

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

Koga, Nakanaga, et al., 1991
Koga, Y.; Nakanaga, T.; Sugawara, K.; Watanabe, A.; Sugie, M.; Takeo, H.; Kondo, S.; Matsumura, C., Gas phase infrared spectrum of syn-vinyl alcohol produced by thermal decomposition of several alcohols and aldehydes, J. Mol. Spectrosc., 1991, 145, 2, 315, https://doi.org/10.1016/0022-2852(91)90119-U . [all data]

Joo, Merer, et al., 1999
Joo, D.-L.; Merer, A.J.; Clouthier, D.J., High-Resolution Fourier Transform Infrared Spectroscopy of Vinyl Alcohol: Rotational Analysis of the ν13 CH2 Wagging Fundamental at 817 cm-1, J. Mol. Spectrosc., 1999, 197, 1, 68, https://doi.org/10.1006/jmsp.1999.7877 . [all data]

Hawkins and Andrews, 1983
Hawkins, M.; Andrews, L., Reactions of atomic oxygen with ethene in solid argon. The infrared spectrum of vinyl alcohol, J. Am. Chem. Soc., 1983, 105, 9, 2523, https://doi.org/10.1021/ja00347a001 . [all data]

Rodler, Blom, et al., 1984
Rodler, M.; Blom, C.E.; Bauder, A., Infrared spectrum and general valence force field of syn-vinyl alcohol, J. Am. Chem. Soc., 1984, 106, 14, 4029, https://doi.org/10.1021/ja00326a025 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Saito, 1976
Saito, S., Microwave spectroscopic detection of vinyl alcohol, CH2«58875»CHOH, Chem. Phys. Lett., 1976, 42, 3, 399, https://doi.org/10.1016/0009-2614(76)80638-0 . [all data]

Rodler and Bauder, 1984
Rodler, M.; Bauder, A., Structure of syn-vinyl alcohol determined by microwave spectroscopy, J. Am. Chem. Soc., 1984, 106, 14, 4025, https://doi.org/10.1021/ja00326a024 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy

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