1,5-Hexadien-3-yne

• Formula: C₆H₆
• Molecular weight: 78.1118
• IUPAC Standard InChI: InChI=1S/C6H6/c1-3-5-6-4-2/h3-4H,1-2H2 Copy

  
• IUPAC Standard InChIKey: AUBDSFLQOBEOPX-UHFFFAOYSA-N Copy
• CAS Registry Number: 821-08-9
• 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: Divinylacetylene; CH2=CHC≡CCH=CH2; 1,5-Hexadiene-3-yne
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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)
  • UV/Visible spectrum
  • Gas Chromatography
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₆H₆⁺ (ion structure unspecified)

Ionization energy determinations

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.

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Brogli, Heilbronner, et al., 1975
Brogli, F.; Heilbronner, E.; Wirz, J.; Kloster-Jensen, E.; Bergman, R.G.; Vollhardt, K.P.C.; Ashe, A.J., III, The consequences of σ and π conjugative interactions in mono-, di- and triacetylenes. A photoelectron spectroscopic investigation, Helv. Chim. Acta, 1975, 58, 2620. [all data]

Price, 1946
Price, W.C., The absorption spectra of hexatriene and divinyl acetylene in the vacuum ultraviolet, Proc. Roy. Soc. (London) Al, 1946, 85, 182. [all data]

Notes

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