- Formula: C8H6
- Molecular weight: 102.1332
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: UEXCJVNBTNXOEH-UHFFFAOYSA-N
- CAS Registry Number: 536-74-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzene, ethynyl-; Ethyne, phenyl-; Ethynylbenzene; Phenylacetylene; 1-Phenylethyne; Acetylene, phenyl-; Ethinylbenzene
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Condensed 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
|fH°liquid||284.3 ± 4.0||kJ/mol||Ccb||N/A||recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB|
|fH°liquid||-261.||kJ/mol||Ccb||Moureu and Andre, 1914||ALS|
|cH°liquid||-4289.9||kJ/mol||Ccb||Moureu and Andre, 1914||Corresponding «DELTA»fHºliquid = 284. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS|
|S°liquid||221.2||J/mol*K||N/A||Lebedev, Bykova, et al., 1982||DH|
Constant pressure heat capacity of liquid
|Cp,liquid (J/mol*K)||Temperature (K)||Reference||Comment|
|180.10||298.15||Lebedev, Bykova, et al., 1982||T = 13.8 to 480 K.; DH|
|179.5||298.5||Smith and Andrews, 1931||T = 102 to 298 K. Value is unsmoothed experimental datum.; DH|
Go To: Top, Condensed phase thermochemistry data, Notes
Moureu and Andre, 1914
Moureu, C.; Andre, E., Thermochimie des composes acetyleniques, Ann. Chim. Phys., 1914, 1, 113-145. [all data]
Lebedev, Bykova, et al., 1982
Lebedev, B.V.; Bykova, T.A.; Smirnova, N.N.; Kulagina, T.G., Thermodynmics of phenylacetylene, its cyclotrimerization, and the resulting 1,3,5-triphenylbenzene at 0-480 K, Zhur. Obshch. Khim., 1982, 52, 2630-2636. [all data]
Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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