Cyclohexanol, 4-methyl-, trans-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil446.7KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
52.1355.AStephenson and Malanowski, 1987Based on data from 340. to 350. K.; AC

Reaction thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics 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 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- + Hydrogen cation = Cyclohexanol, 4-methyl-, trans-

By formula: C7H13O- + H+ = C7H14O

Quantity Value Units Method Reference Comment
Δr1563. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr1560. ± 9.2kJ/molG+TSMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale; B
Quantity Value Units Method Reference Comment
Δr1536. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr1532. ± 8.8kJ/molCIDCMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale; B

Cyclohexanol, 4-methyl-, trans- = Cyclohexanol, 4-methyl-, cis-

By formula: C7H14O = C7H14O

Quantity Value Units Method Reference Comment
Δr1.7 ± 0.5kJ/molEqkKabo and Frenkel, 1983gas phase; ALS
Δr1.7 ± 0.5kJ/molEqkFrenkel and Kabo, 1979liquid phase; ALS

Cyclohexanol, 4-methyl-, trans- = Hydrogen + Cyclohexanone, 4-methyl-

By formula: C7H14O = H2 + C7H12O

Quantity Value Units Method Reference Comment
Δr67.7 ± 2.9kJ/molEqkFedoseenko, Yursha, et al., 1983gas phase; At 493 K; ALS

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction 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: John E. Bartmess

De-protonation reactions

C7H13O- + Hydrogen cation = Cyclohexanol, 4-methyl-, trans-

By formula: C7H13O- + H+ = C7H14O

Quantity Value Units Method Reference Comment
Δr1563. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Δr1560. ± 9.2kJ/molG+TSMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale
Quantity Value Units Method Reference Comment
Δr1536. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Δr1532. ± 8.8kJ/molCIDCMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References