- Formula: C14H10
- Molecular weight: 178.2292
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: JRXXLCKWQFKACW-UHFFFAOYSA-N
- CAS Registry Number: 501-65-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Diphenylethyne; Benzene, 1,1'-(1,2-ethynediyl)bis-; Acetylene, diphenyl-; Ethyne, diphenyl-; Tolan; Tolane; 1,2-Diphenylacetylene; 1,1'-(1,2-Ethanediyl)bisbenzene; NSC 5185
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Gas phase thermochemistry data
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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
|fH°gas||385. ± 2.7||kJ/mol||Chyd||Davis, Allinger, et al., 1985||ALS|
|S°gas||452.||J/mol*K||N/A||Alcolea Palafox M., 1996||This value was calculated by semiempirical AM1 method. According to estimation by difference method [ Dorofeeva O.V., 1997] it could be overestimated by 15-30 J/mol*K.; GT|
Go To: Top, Gas phase thermochemistry data, Notes
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]
Alcolea Palafox M., 1996
Alcolea Palafox M., Vibrational spectra and structure of diphenylacetylenes, Spectrosc. Lett., 1996, 29, 241-266. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
S°gas Entropy of gas at standard conditions fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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