(E)-1-Phenyl-1,3-butadiene

• Formula: C₁₀H₁₀
• Molecular weight: 130.1864
• IUPAC Standard InChI: InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h2-9H,1H2/b7-3+ Copy

  
• IUPAC Standard InChIKey: XZKRXPZXQLARHH-XVNBXDOJSA-N Copy
• CAS Registry Number: 16939-57-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Benzene, 1,3-butadienyl-
  • 1-Phenyl-1,3-butadiene(Z)
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
• Data at other public NIST sites:
  • NIST Polycyclic Aromatic Hydrocarbon Structure Index
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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 C₁₀H₁₀⁺ (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.

Dass and Gross, 1983
Dass, C.; Gross, M.L., Electrocyclic ring opening of 1-phenylcyclobutene and 3-phenylcyclobutene radical cations, J. Am. Chem. Soc., 1983, 105, 5724. [all data]

Sustmann and Schubert, 1972
Sustmann, R.; Schubert, R., Photoelektronenspektroskopische bestimmung von substituenten-effekten. I. Subtituierte butadiene, Tetrahedron Lett., 1972, 27, 2739. [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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