trans-3-Methylcyclohexanol
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI: InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
- IUPAC Standard InChIKey: HTSABYAWKQAHBT-BQBZGAKWSA-N
- CAS Registry Number: 7443-55-2
- 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. - Stereoisomers:
- Other names: Cyclohexanol, 3-methyl-, trans-; 3-Methylcyclohexanol, (E)-; 3-Methyl cyclohexanol, trans; 3-Methylcyclohexanol
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -421.66 | kJ/mol | Ccb | Skita and Faust, 1931 | Authors' ΔU=-9073.7±7 cal/g |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4356.5 ± 3.3 | kJ/mol | Ccb | Eliel and Haber, 1958 | Corresponding ΔfHºliquid = -398.9 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -4333.7 ± 3.3 | kJ/mol | Ccb | Skita and Faust, 1931 | Authors' ΔU=-9073.7±7 cal/g; Corresponding ΔfHºliquid = -421.66 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C7H14O = C7H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.8 ± 0.8 | kJ/mol | Eqk | Kabo and Frenkel, 1983 | gas phase |
| ΔrH° | -3.8 ± 0.8 | kJ/mol | Eqk | Frenkel and Kabo, 1979 | liquid phase |
=
+
By formula: C7H14O = H2 + C7H12O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 62.3 ± 2.1 | kJ/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 488 K |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Skita and Faust, 1931
Skita, A.; Faust, W.,
474. Uber die Bildungs-Geschwindigkeiten der stereomeren Methyl-cyclohexanole,
Ber., 1931, 64, 2878-2892. [all data]
Eliel and Haber, 1958
Eliel, E.L.; Haber, R.G.,
The boiling points of the methylcyclohexanols-an exception to the conformational rule,
J. Org. Chem., 1958, 23, 2041. [all data]
Kabo and Frenkel, 1983
Kabo, G.J.; Frenkel, M.L.,
Thermodynamics of diastereomeric transformations of alcohols with different carbon-skeleton structures,
J. Chem. Thermodyn., 1983, 15, 377-381. [all data]
Frenkel and Kabo, 1979
Frenkel, M.L.; Kabo, G.Ya.,
Thermodynamics of stereoisomeric transformations of methylcyclohexanols,
Termodin. Org. Soedin., 1979, 104-106. [all data]
Fedoseenko, Yursha, et al., 1983
Fedoseenko, V.I.; Yursha, I.A.; Kabo, G.Ya.,
Equilibrium and thermodynamics of cyclohexanol dehydrogenation reactions,
Dokl. Akad. Nauk BSSR, 1983, 27, 926-929. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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