Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5α)-
- 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-AYMMMOKOSA-N
- CAS Registry Number: 1795-27-3
- 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-, cis-; cis-1,3,5-Trimethylcyclohexane; (1α,3α,5α)-1,3,5-Trimethyl-cyclohexane; 1,cis-3,cis-5-Trimethylcyclohexane; cis,cis-1,3,5-Trimethylcyclohexane; 1,3,5-cis-Trimethylcyclohexane; 1,3,5-Trimethylcyclohexane, cis, cis; Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5α)-cis; 1,3,5-trimethylcyclohexane, cis
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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 | -51.48 | kcal/mol | Eqk | Egan and Buss, 1959 |
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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 411.7 ± 0.8 | K | AVG | N/A | Average of 11 out of 12 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 229.930 | K | N/A | Streiff, Schultz, et al., 1960 | Uncertainty assigned by TRC = 0.02 K; TRC |
| Tfus | 223.45 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tfus | 223. | K | N/A | Chiurdoglu, 1951 | Uncertainty assigned by TRC = 5. K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.15 | 333. | A | Stephenson and Malanowski, 1987 | Based on data from 318. to 410. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
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]
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]
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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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