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Cyclohexanol, 2-methyl-, trans-

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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
Deltafliquid-421.25kJ/molCcbSkita and Faust, 1931Authors' «DELTA»U=-9074.7±4 cal/g
Quantity Value Units Method Reference Comment
Deltacliquid-4322.2 ± 3.3kJ/molCcbEliel and Haber, 1958Corresponding «DELTA»fliquid = -433.17 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4334.2 ± 3.3kJ/molCcbSkita and Faust, 1931Authors' «DELTA»U=-9074.7±4 cal/g; Corresponding «DELTA»fliquid = -421.20 kJ/mol (simple calculation by NIST; no Washburn corrections)

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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil440.6KN/AAldrich Chemical Company Inc., 1990 

Reaction 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 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, 2-methyl-, trans-

By formula: C7H13O- + H+ = C7H14O

Quantity Value Units Method Reference Comment
Deltar1559. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar1555. ± 9.2kJ/molG+TSMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar1528. ± 8.8kJ/molCIDCMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale; B

Cyclohexanol, 2-methyl-, trans- = Cyclohexanol, 2-methyl-, cis-

By formula: C7H14O = C7H14O

Quantity Value Units Method Reference Comment
Deltar3.9 ± 0.6kJ/molEqkKabo and Frenkel, 1983gas phase; ALS
Deltar3.9 ± 0.6kJ/molEqkFrenkel and Kabo, 1979liquid phase; ALS

Cyclohexanol, 2-methyl-, trans- = Hydrogen + Cyclohexanone, 2-methyl-

By formula: C7H14O = H2 + C7H12O

Quantity Value Units Method Reference Comment
Deltar66.6 ± 2.4kJ/molEqkFedoseenko, Yursha, et al., 1983gas phase; At 493 K; ALS

Gas phase ion energetics 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: John E. Bartmess

De-protonation reactions

C7H13O- + Hydrogen cation = Cyclohexanol, 2-methyl-, trans-

By formula: C7H13O- + H+ = C7H14O

Quantity Value Units Method Reference Comment
Deltar1559. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Deltar1555. ± 9.2kJ/molG+TSMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Deltar1528. ± 8.8kJ/molCIDCMajumdar, Clairet, et al., 1992gas phase; Acidity adjusted to 1987 acidity scale

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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IR spectrum
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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 Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-7713
NIST MS number 227878

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Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L130.946.Paris and Alexandre, 1972Chromosorb W AW

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1409.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax1438.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Paris and Alexandre, 1972
Paris, C.; Alexandre, P., Stereochemical Investigation of Cyclohexane and Terpene Compounds by Gas Chromatography, J. Chromatogr. Sci., 1972, 10, 6, 402-411, https://doi.org/10.1093/chromsci/10.6.402 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References