Cyclohexanol, 2-methyl-, trans-
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI: InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
- IUPAC Standard InChIKey: NDVWOBYBJYUSMF-BQBZGAKWSA-N
- CAS Registry Number: 7443-52-9
- 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: trans-2-Methylcyclohexanol; 2-Methylcyclohexanol
- Information on this page:
- Other data available:
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Reaction 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:
B - John E. Bartmess
ALS - 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
C7H13O- + =
By formula: C7H13O- + H+ = C7H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1559. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
| ΔrH° | 1555. ± 9.2 | kJ/mol | G+TS | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 acidity scale; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1531. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
| ΔrG° | 1528. ± 8.8 | kJ/mol | CIDC | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 acidity scale; B |
=
By formula: C7H14O = C7H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 3.9 ± 0.6 | kJ/mol | Eqk | Kabo and Frenkel, 1983 | gas phase; ALS |
| ΔrH° | 3.9 ± 0.6 | kJ/mol | Eqk | Frenkel and Kabo, 1979 | liquid phase; ALS |
=
+
By formula: C7H14O = H2 + C7H12O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 66.6 ± 2.4 | kJ/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 493 K; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Majumdar, Clairet, et al., 1992
Majumdar, T.K.; Clairet, F.; Tabet, J.C.; Cooks, R.G.,
PAs of halogenated uridines,
J. Am. Chem . Soc., 1992, 114, 2897. [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, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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