(Z)-Hexa-1,5-diyne-3-ene

• Formula: C₆H₄
• Molecular weight: 76.0960
• IUPAC Standard InChI: InChI=1S/C6H4/c1-3-5-6-4-2/h1-2,5-6H/b6-5- Copy

  
• IUPAC Standard InChIKey: KIWAUQFHKHLABA-WAYWQWQTSA-N Copy
• CAS Registry Number: 16668-67-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (E)-Hexa-1,5-diyne-3-ene
  • Hex-3-en-1,5-diyne
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₆H₄⁺ (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]

Notes

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

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