Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-

• Formula: C₁₆H₁₀
• Molecular weight: 202.2506
• IUPAC Standard InChI: InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H Copy

  
• IUPAC Standard InChIKey: HMQFJYLWNWIYKQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 886-66-8
• 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: Butadiyne, diphenyl-; Diphenyl-1,3-butadiyne; Diphenylbutadiyne; Diphenyldiacetylene; 1,4-Diphenyl-1,3-butadiyne; 1,4-Diphenylbutadiyne; 1,4-Diphenylbut-1,3-diyne; Diphenylbiacetylene; NSC 529170; 1,1'-(1,3-butadiyne-1,4-diyl)bisbenzene
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Reaction 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

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Individual Reactions

4 +  =

By formula: 4H₂ + C₁₆H₁₀ = C₁₆H₁₈

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₁₆H₁₀⁺ (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.

Davis, Allinger, et al., 1985
Davis, H.E.; Allinger, N.L.; Rogers, D.W., Enthalpies of hydrogenation of phenylalkynes: indirect determination of the enthalpy of formation of diphenylcyclopropenone, J. Org. Chem., 1985, 50, 3601-3604. [all data]

Elbel, Lienert, et al., 1981
Elbel, S.; Lienert, K.; Krebs, A.; tom Dieck, H., Phenylethin - mustersonde fur substituenteneffekte, Liebigs Ann. Chem., 1981, 1785. [all data]

Andreocci, Bicev, et al., 1980
Andreocci, M.V.; Bicev, P.; Cauletti, C.; Piancastelli, M.N., The electronic structure of the .PI.-systems of acetylenic oligomers and related substances: An UPS study of diphenylbutadiyne and diphenylbutenyne, Gazz. Chim. Ital., 1980, 110, 31. [all data]

Notes

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

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

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