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
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- 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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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 |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
References
Go To: Top, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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