2-Butynal

• Formula: C₄H₄O
• Molecular weight: 68.0740
• IUPAC Standard InChI: InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3 Copy

  
• IUPAC Standard InChIKey: REJPDMLLCDXIOV-UHFFFAOYSA-N Copy
• CAS Registry Number: 1119-19-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Tetrolaldehyde; But-2-ynal; CH3CCCHO; 1-Formyl-1-propyne; Methylacetyllealdehyde
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₄H₄O⁺ (ion structure unspecified)

Ionization energy determinations

Mass spectrum (electron ionization)

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

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

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Terlouw, Burgers, et al., 1979
Terlouw, J.K.; Burgers, P.C.; Holmes, J.L., Thermochemistry and generation of vinylketene, J. Am. Chem. Soc., 1979, 101, 225. [all data]

Holmes and Terlouw, 1979
Holmes, J.L.; Terlouw, J.K., Structures of [C₄H₄O]⁺ ions produced from 2- and 4-pyrone, J. Am. Chem. Soc., 1979, 101, 4973. [all data]

Carlier and Mouvier, 1979
Carlier, P.; Mouvier, G., Etude par spectrometrie de photoelectrons de la structure electronique des ynals et des ynones conjugues, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 169. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

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