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Perfluoro(methylcyclohexane)

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Gas 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
Deltafgas-2897.2 ± 3.8kJ/molCcrGood, Douslin, et al., 1959Reanalyzed by Cox and Pilcher, 1970, Original value = -2825. kJ/mol; produce 3HF(aq:10)

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
Deltafliquid-2931.1 ± 3.8kJ/molCcrGood, Douslin, et al., 1959Reanalyzed by Cox and Pilcher, 1970, Original value = -2859. kJ/mol; produce 3HF(aq:10); ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1844.9 ± 0.46kJ/molCcrGood, Douslin, et al., 1959produce 3HF(aq:10); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
353.1298.Yarrington and Kay, 1957T = 298 to 373 K. Equation only.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil349.3 ± 0.4KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc485.902 ± 0.007KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc20.190 ± 0.002barAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
rhoc1.75mol/lN/AGenco, Teja, et al., 1980Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap34.0kJ/molN/ABoublik, Fried, et al., 1984Based on data from 306. - 384. K. See also Basarová and Svoboda, 1991.; AC
Deltavap34.1 ± 0.3kJ/molN/AVarushchenko, Bulgakova, et al., 1981AC
Deltavap33.9 ± 0.2kJ/molVGood, Douslin, et al., 1959produce 3HF(aq:10); ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.1320.N/ADykyj, Svoboda, et al., 1999Based on data from 305. - 414. K.; AC
30.2428.N/ADykyj, Svoboda, et al., 1999Based on data from 413. - 488. K.; AC
33.4320.AStephenson and Malanowski, 1987Based on data from 305. - 385. K. See also Dykyj and Vanko, 1970 and Kkykj and Repas, 1973.; AC
33.3321.N/AGood, Douslin, et al., 1959Based on data from 306. - 384. K. See also Boublik, Fried, et al., 1984.; AC
33.8313.N/ARowlinson and Thacker, 1957Based on data from 298. - 353. K. See also Boublik, Fried, et al., 1984.; AC
33.3310.N/AGlew and Reeves, 1956Based on data from 272. - 349. K. See also Dykyj and Vanko, 1970.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
305.77 - 384.243.946851132.558-62.077Good, Douslin, et al., 1959Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
51.6234.BBondi, 1963See also Rowlinson and Thacker, 1957.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Chlorine anion + Perfluoro(methylcyclohexane) = (Chlorine anion bullet Perfluoro(methylcyclohexane))

By formula: Cl- + C7F14 = (Cl- bullet C7F14)

Quantity Value Units Method Reference Comment
Deltar<7.53kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
7.5300.PHPMSChowdhury and Kebarle, 1986gas phase; DG<; M

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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.020 ± 0.060N/AMiller, Friedman, et al., 2012B
1.06 ± 0.13TDEqGrimsrud, Chowdhury, et al., 1985«DELTA»Gea(423 K) = -26.1 kcal/mol; «DELTA»Sea = -2.7 eu.; B

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+15.9 ± 0.2?EIJames and Carter, 1962RDSH
CF2+13.9 ± 0.2?EIJames and Carter, 1962RDSH
CF3+14.4 ± 0.2?EIJames and Carter, 1962RDSH
C2F3+14.1 ± 0.2?EIJames and Carter, 1962RDSH
C2F4+12.4 ± 0.2?EIJames and Carter, 1962RDSH
C2F5+14.4 ± 0.2?EIJames and Carter, 1962RDSH
C3F3+16.6 ± 0.2?EIJames and Carter, 1962RDSH
C3F4+11.9 ± 0.2?EIJames and Carter, 1962RDSH
C3F5+13.9 ± 0.2?EIJames and Carter, 1962RDSH
C4F5+14.9 ± 0.2?EIJames and Carter, 1962RDSH
C4F6+13.4 ± 0.2?EIJames and Carter, 1962RDSH
C4F7+15.9 ± 0.2?EIJames and Carter, 1962RDSH
C4F8+11.9 ± 0.2?EIJames and Carter, 1962RDSH
C5F7+11.9 ± 0.2?EIJames and Carter, 1962RDSH
C5F9+13.9 ± 0.2?EIJames and Carter, 1962RDSH
C5F10+15.9 ± 0.2?EIJames and Carter, 1962RDSH
C6F9+12.9 ± 0.2?EIJames and Carter, 1962RDSH
C6F10+12.4 ± 0.2?EIJames and Carter, 1962RDSH
C6F11+13.9 ± 0.2?EIJames and Carter, 1962RDSH
C7F13+15.4 ± 0.2FEIJames and Carter, 1962RDSH

Ion clustering 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Chlorine anion + Perfluoro(methylcyclohexane) = (Chlorine anion bullet Perfluoro(methylcyclohexane))

By formula: Cl- + C7F14 = (Cl- bullet C7F14)

Quantity Value Units Method Reference Comment
Deltar<7.53kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
7.5300.PHPMSChowdhury and Kebarle, 1986gas phase; DG<; M

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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: 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.
NIST MS number 15934

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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: 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
PackedSqualane50.303.Müller, Dietrich, et al., 1983 
PackedApiezon L100.290.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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.

Good, Douslin, et al., 1959
Good, W.D.; Douslin, D.R.; Scott, D.W.; George, A.; Lacina, J.L.; Dawson, J.P.; Waddington, G., Thermochemistry and vapor pressure of aliphatic fluorocarbons. A comparison of the C-F and C-H thermochemical bond energies, J. Phys. Chem., 1959, 63, 1133-1138. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Yarrington and Kay, 1957
Yarrington, R.M.; Kay, W.B., The liquid specific heats of some fluorocarbon compounds, J. Phys. Chem., 1957, 61, 1259-1260. [all data]

Genco, Teja, et al., 1980
Genco, J.M.; Teja, A.S.; Kay, W.B., Study of the critical and azeotropic behavior of binary mixtures I critical states of perfluoromethylcyclohexane + isomeric hexane systems, J. Chem. Eng. Data, 1980, 25, 350. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [all data]

Varushchenko, Bulgakova, et al., 1981
Varushchenko, R.M.; Bulgakova, L.L.; Minzabekyants, P.S.; Makarov, K.N., Russ. J. Phys. Chem., 1981, 55, 1480. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]

Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A., Petrochemica, 1970, 10, 1, 3. [all data]

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

Rowlinson and Thacker, 1957
Rowlinson, J.S.; Thacker, R., The physical properties of some fluorine compounds and their solutions. Part 3.?Perfluorocyclohexane and perfluoromethylcyclohexane, Trans. Faraday Soc., 1957, 53, 1, https://doi.org/10.1039/tf9575300001 . [all data]

Glew and Reeves, 1956
Glew, D.N.; Reeves, L.W., Purification of Perfluoro-n-heptane and Perfluoromethylcyclohexane., J. Phys. Chem., 1956, 60, 5, 615-615, https://doi.org/10.1021/j150539a026 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

Miller, Friedman, et al., 2012
Miller, T.M.; Friedman, J.F.; Shuman, N.S.; Ard, S.G.; Melko, J.J.; Viggiano, A.A., Electron Attachment to C7F14, Thermal Detachment from C7F14-, the Electron Affinity of C7F14, and Neutralization of C7F14- by Ar+, J. Phys. Chem. A, 2012, 116, 42, 10293-10300, https://doi.org/10.1021/jp306843a . [all data]

Grimsrud, Chowdhury, et al., 1985
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Electron affinity of SF6 and perfluoromethylcyclohexane. The unusual kinetics of electron transfer reactions A- + B- + A, where A = SF6 or perfluorinated cycloalkanes, J. Chem. Phys., 1985, 83, 1059. [all data]

James and Carter, 1962
James, L.H.; Carter, G., A mass spectrometric study of ionization and dissociation by electron impact ofperfluoro-methyl cyclohexane, J. Electron. Control, 1962, 13, 213. [all data]

Müller, Dietrich, et al., 1983
Müller, U.; Dietrich, P.; Prescher, D., Gaschromatographische Untersuchungen an Perfluor-Carbonverbindungen. II. Zur Gaschromatographischen Trennung von Gemischen Längerkettiger Perfluoralkane und Perfluoralkene, J. Chromatogr., 1983, 259, 243-254, https://doi.org/10.1016/S0021-9673(01)88005-5 . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]


Notes

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