Cyclohexanol, 2-methyl-


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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δcliquid-1046.9kcal/molCcbZubova, 1901Corresponding Δfliquid = -89.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
63.920298.15Caceres-Alonso, Costas, et al., 1988Mixed isomers. Cp(trans isomer) = 262.98; (cis isomer) = 268.95 J/mol*K.; DH
47.71290.Herz and Bloch, 1924DH

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil437.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil441.65KN/ALecat, 1930Uncertainty assigned by TRC = 0.5 K; not clear that this is a new measurement; TRC
Tboil440.7KN/AVon Auwers, Hinterseber, et al., 1915Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap15.1kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 323. to 373. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.4376.EBPalczewska-Tulinska and Oracz, 2007Based on data from 361. to 439. K.; AC

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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 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

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

By formula: H2 + C7H12O = C7H14O

Quantity Value Units Method Reference Comment
Δr-15.86kcal/molChydDokuchaeva, Sibarov, et al., 1981liquid phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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- 689
NIST MS number 229383

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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

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L120.946.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.973.Bogoslovsky, Anvaer, et al., 1978Celite 545

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone941.Peng, Yang, et al., 1991Program: not specified
PackedSE-30941.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

References

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

Zubova, 1901
Zubova, P., Data about heat of combustion of compound cycle structure, Zh. Fiz. Khim., 1901, 33, 708-722. [all data]

Caceres-Alonso, Costas, et al., 1988
Caceres-Alonso, M.; Costas, M.; Andreoli-Ball, L.; Patterson, D., Steric effects on the self-association of branched and cyclic alcohols in inert solvents. Apparent heat capacities of secondary and tertiary alcohols in hydrocarbons, Can. J. Chem., 1988, 66, 989-998. [all data]

Herz and Bloch, 1924
Herz, W.; Bloch, W., Physikalisch-chemische Untersuchungen an Verbindungen der Cyklohexanreihe, Z. Phys. Chem., 1924, 110, 23-39. [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]

Lecat, 1930
Lecat, M., Azeotropism in Binary Mixtures Containing an Alcohol Mixed with an amine, a nitro derivative, an ether or water., Z. Anorg. Allg. Chem., 1930, 186, 119. [all data]

Von Auwers, Hinterseber, et al., 1915
Von Auwers, K.; Hinterseber, R.; Treppman, W., Concerning Simple Hydroaromatic Hydrocarbons, Alcohols and Ketones, Justus Liebigs Ann. Chem., 1915, 410, 257-287. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Palczewska-Tulinska and Oracz, 2007
Palczewska-Tulinska, Marcela; Oracz, Pawel, Vapor-Liquid Equilibria in the 2-Methylcyclohexanol + 2-Methylcyclohexyl Ethanoate System at 101.325 kPa, J. Chem. Eng. Data, 2007, 52, 2, 645-649, https://doi.org/10.1021/je600559q . [all data]

Dokuchaeva, Sibarov, et al., 1981
Dokuchaeva, T.G.; Sibarov, d.A.; Timofeev, V.F.; Proskuryakov, V.A., Kinetics of the dehydrogenation of 2-methylcyclohexanol to 2-methylcyclohexanone over a platinum catalyst, J. Appl. Chem. USSR, 1981, 54, 1140-1146. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]


Notes

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