3-Buten-2-ol

• Formula: C₄H₈O
• Molecular weight: 72.1057
• IUPAC Standard InChI: InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3 Copy

  
• IUPAC Standard InChIKey: MKUWVMRNQOOSAT-UHFFFAOYSA-N Copy
• CAS Registry Number: 598-32-3
• 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: Methyl vinylcarbinol; 1-Buten-3-ol; 1-Methyl-2-propenol; 3-Butene-2-ol; 3-Hydroxy-1-butene; CH2=CHCH(OH)CH3; Propenol, 1-methyl; but-3-en-2-ol
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• 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:
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 C₄H₈O⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, 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.

Traeger and McAdoo, 1986
Traeger, J.C.; McAdoo, D.J., Decomposition thresholds and associated translational energy releases for eight C₄H₈O⁺ isomers, Int. J. Mass Spectrom. Ion Processes, 1986, 68, 35. [all data]

McAdoo and Hudson, 1983
McAdoo, D.J.; Hudson, C.E., The decompositions of metastable [C₄H₈O]⁺ ions and the [C₄H₈O]⁺ potential surface, Org. Mass Spectrom., 1983, 18, 466. [all data]

Holmes and Lossing, 1983
Holmes, J.L.; Lossing, F.P., The need for adequate thermochemical data for the interpretation of fragmentation mechanisms and ion structure assignments, Int. J. Mass Spectrom. Ion Phys., 1983, 47, 133. [all data]

Vajda and Harrison, 1979
Vajda, J.H.; Harrison, A.G., Proton affinities of some olefinic carbonyl compounds and heats of formation of C_nH_2n-1O⁺ ions, Int. J. Mass Spectrom. Ion Phys., 1979, 30, 293. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy

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