Benzyne

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

  
• IUPAC Standard InChIKey: KLYCPFXDDDMZNQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 462-80-6
• Chemical structure:
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• Information on this page:
  • Gas phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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.

Riveros, Ingeman, et al., 1991
Riveros, J.M.; Ingeman, S.; Nibbering, N.M.M., Formation of gas-phase solvated Br-and I- ion/molecule reactions of halobenzenes. Revised heat of formation of benzyne, J. Am. Chem. Soc., 1991, 113, 1053. [all data]

Wenthold, Paulino, et al., 1991
Wenthold, P.G.; Paulino, J.A.; Squires, R.R., The absolute heats of formation of o-,m-, and p-benzyne, J. Am. Chem. Soc., 1991, 113, 7414-7415. [all data]

Pollack and Hehre, 1980
Pollack, S.K.; Hehre, W.J., Determination of the heat of formation of ortho-benzyne by ion cyclotron resonance spectroscopy, Tetrahedron Lett., 1980, 21, 2483-2486. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, References

• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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