Benzene, cyclohexyl-
- Formula: C12H16
- Molecular weight: 160.2554
- IUPAC Standard InChI: InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
- IUPAC Standard InChIKey: IGARGHRYKHJQSM-UHFFFAOYSA-N
- CAS Registry Number: 827-52-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Cyclohexane, phenyl-; Cyclohexylbenzene; Phenylcyclohexane; 1,1'-Biphenyl, 1,2,3,4,5,6-hexahydro-
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -18.9 ± 1.3 | kcal/mol | Ccb | Montgomery, Rossini, et al., 1978 | ALS |
| ΔfH°liquid | -18.30 ± 0.26 | kcal/mol | Ccb | Good and Lee, 1976 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1656.2 ± 1.3 | kcal/mol | Ccb | Montgomery, Rossini, et al., 1978 | Corresponding ΔfHºliquid = -18.92 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1656.84 ± 0.22 | kcal/mol | Ccb | Good and Lee, 1976 | Corresponding ΔfHºliquid = -18.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 62.91 | 198.15 | O'Rourke and Mraw, 1983 | T = 220 to 475 K. Cp(c) = 0.8803 (T/K) - 29.2 (220 to 280.5 K); Cp(liq) = 0.6130 (T/K) + 80.4 (280.5 to 475 K) J/mol*K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Montgomery, Rossini, et al., 1978
Montgomery, R.L.; Rossini, F.D.; Mansson, M.,
Enthalpies of combustion, vaporization, and formation of phenylbenzene, cyclohexylbenzene, and cyclohexylcyclohexane; enthalpy of hydrogenation of certain aromatic systems,
J. Chem. Eng. Data, 1978, 23, 125-129. [all data]
Good and Lee, 1976
Good, W.D.; Lee, S.H.,
The enthalpies of formation of selected naphthalenes, diphenylmethanes, and bicyclic hydrocarbons,
J. Chem. Thermodyn., 1976, 8, 643-650. [all data]
O'Rourke and Mraw, 1983
O'Rourke, D.F.; Mraw, S.C.,
Heat capacities and enthalpies of fusion of dibenzothiophene (220 to 560 K) and of biphenyl, cyclohexylbenzene, and cyclohexylcyclohexane (220 to 475 K). Enthalpies and temperatures of three transitions in solid cyclohexylcyclohexane,
J. Chem. Thermodynam., 1983, 15, 489-502. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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