Cyclohexanol, 4-methyl-, cis-
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: MQWCXKGKQLNYQG-KNVOCYPGSA-N
- CAS Registry Number: 7731-28-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: cis-4-Methylcyclohexanol; 4-Methylcyclohexanol, (Z)-; 4-Methyl cyclohexanol, cis-; 4-Methylcyclohexanol
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Reaction thermochemistry data
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Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C7H13O- + =
By formula: C7H13O- + H+ = C7H14O
|rH°||372.6 ± 2.0||kcal/mol||CIDC||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
|rH°||371.7 ± 2.2||kcal/mol||G+TS||Majumdar, Clairet, et al., 1992||gas phase; Acidity adjusted to 1987 acidity scale; B|
|rG°||366.0 ± 2.1||kcal/mol||H-TS||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
|rG°||365.1 ± 2.1||kcal/mol||CIDC||Majumdar, Clairet, et al., 1992||gas phase; Acidity adjusted to 1987 acidity scale; B|
By formula: C7H14O = C7H14O
|rH°||0.4 ± 0.1||kcal/mol||Eqk||Kabo and Frenkel, 1983||gas phase; ALS|
|rH°||0.4 ± 0.1||kcal/mol||Eqk||Frenkel and Kabo, 1979||liquid phase; ALS|
By formula: C7H14O = H2 + C7H12O
|rH°||15.2 ± 0.60||kcal/mol||Eqk||Fedoseenko, Yursha, et al., 1983||gas phase; At 493 K; ALS|
Go To: Top, Reaction thermochemistry data, Notes
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]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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