Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5β)-
- Formula: C9H18
- Molecular weight: 126.2392
- IUPAC Standard InChI: InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8-,9-
- IUPAC Standard InChIKey: ODNRTOSCFYDTKF-FBJIGQNJSA-N
- CAS Registry Number: 1795-26-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Cyclohexane, 1,3,5-trimethyl-, trans-; 1-trans-3,5-Trimethylcyclohexane; 1,cis-3,trans-5-Trimethylcyclohexane; cis,cis,trans-1,3,5-trimethylcyclohexane; 1,3(Z),5(E)-Trimethylcyclohexane; 1,3,5-trans-Trimethylcyclohexane; trans-1,3,5-Trimethylcyclohexane; Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5β)-trans
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -206.6 | kJ/mol | Eqk | Egan and Buss, 1959 | At 480-571 K |
Phase change 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 413.7 | K | N/A | Chiurdoglu, 1951 | Uncertainty assigned by TRC = 0.5 K |
| Tboil | 413.7 | K | N/A | Chiurdoglu, Fierens, et al., 1950 | Uncertainty assigned by TRC = 0.5 K |
| Tboil | 414.37 | K | N/A | Anonymous, 1949 | Uncertainty assigned by TRC = 0.3 K |
| Tboil | 412.75 | K | N/A | Chiurdoglu, 1944 | Uncertainty assigned by TRC = 1. K |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 188.720 | K | N/A | Streiff, Schultz, et al., 1960 | Uncertainty assigned by TRC = 0.02 K |
| Tfus | 165.75 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.5 K |
| Tfus | 165.7 | K | N/A | Chiurdoglu, 1951 | Uncertainty assigned by TRC = 1.5 K |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 602.2 | K | N/A | Powell, Swinton, et al., 1970 | Uncertainty assigned by TRC = 0.6 K; Visual in metal block oven, TE cal. by measurement of Tc of alkanes and benzene, hexafluorobenzene and cyclohexane. See R. J. Powell and F.J.Swinton, 1970 for purification. |
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.
Egan and Buss, 1959
Egan, C.J.; Buss, W.C.,
Determination of the equilibrium constants for the hydrogenation of mesitylene. The thermodynamic properties of the 1,3,5-trimethylcyclohexanes,
J. Phys. Chem., 1959, 63, 1887-1889. [all data]
Chiurdoglu, 1951
Chiurdoglu, G.,
Determination of cis-trans isomerism in cyclanes by means of the chiurdoglu rule: II pairs of trisubstituted stereoisomers,
Bull. Soc. Chim. Belg., 1951, 60, 39. [all data]
Chiurdoglu, Fierens, et al., 1950
Chiurdoglu, G.; Fierens, P.J.C.; Henkert, C.,
Equilibrium Isomerization of Cyclic Hydrocarbons II. Isomerization by Aluminum Chloride of Cyclophentane and Cyclohexane Hydrocarbons, C9H18,
Bull. Soc. Chim. Belg., 1950, 59, 156. [all data]
Anonymous, 1949
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1949. [all data]
Chiurdoglu, 1944
Chiurdoglu, G.,
Bull. Soc. Chim. Belg., 1944, 53, 55. [all data]
Streiff, Schultz, et al., 1960
Streiff, A.J.; Schultz, L.H.; Krouskop, N.C.; Moore, J.W.; Rossini, F.D.,
Purification, Purity, and Freezing Points of 16 API Standard and API Research Hydrocarbons,
J. Chem. Eng. Data, 1960, 5, 193-5. [all data]
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Powell, Swinton, et al., 1970
Powell, R.J.; Swinton, F.L.; Young, C.L.,
The thermodynamic properties of fluorocarbon-hycrocarbon mixtures 3. Gas- Liquid critical temperatures and a comparison with the theory of Rowlinson and Sutton,
J. Chem. Thermodyn., 1970, 2, 105. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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