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Cyclohexane, dodecafluoro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-2471.kJ/molSemiStewart, 2004 
Deltafgas  CmAndreevskii and Antonova, 1982uncertain value: -2369. kJ/mol; ALS
Deltafgas-2370.4 ± 8.4kJ/molCcbPrice and Sapiano, 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -2368.9 ± 7.6 kJ/mol; hf_CF4=-933.0 kJ/mol; ALS

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
Deltacliquid-1330.8 ± 7.6kJ/molCcbPrice and Sapiano, 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1330.81 kJ/mol; hf_CF4=-933.0 kJ/mol

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltavap35.98kJ/molVPrice and Sapiano, 1979hf_CF4=-933.0 kJ/mol; ALS
Deltavap36.0kJ/molN/APrice and Sapiano, 1979Based on data from 274. - 322. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
28.0388.N/ADavies, Ewing, et al., 1988Based on data from 373. - 457. K.; AC
28.1365.AStephenson and Malanowski, 1987Based on data from 350. - 451. K.; AC
29.6351.N/AMcCullough, Douslin, et al., 1957Based on data from 336. - 394. K. See also Boublik, Fried, et al., 1984.; 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
350.32 - 451.014.205841212.323-34.221Crowder, Taylor, et al., 1967Coefficents calculated by NIST from author's data.
292.96 - 394.53.18702605.954-135.245Rowlinson and Thacker, 1957Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
36.4267.AStephenson and Malanowski, 1987Based on data from 252. - 326. K. See also Crowder, Taylor, et al., 1967.; AC
36.2313.N/ARowlinson and Thacker, 1957, 2Based on data from 293. - 333. K.; AC

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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
13.2EIMajer and Patrick, 1962

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 06679
Date 1965/02/18
Name(s) 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorocyclohexane
State SOLUTION (10% CCl4 FOR 3800-400 CM-1)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON
Path length 0.011 CM
SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550, 720-850 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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 NATIONAL BUREAU OF STANDARDS, WASHINGTON D.C., USA
NIST MS number 34431

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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
PackedSqualane50.278.Müller, Dietrich, et al., 1983 
PackedApiezon L100.248.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, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Andreevskii and Antonova, 1982
Andreevskii, D.N.; Antonova, Z.A., Development of an increment scheme for calculating the thermodynamic properties of organic polyfluoro compounds, J. Appl. Chem. USSR, 1982, 55, 582-587. [all data]

Price and Sapiano, 1979
Price, S.J.W.; Sapiano, H.J., Determination of «DELTA»H°f298(C6F10,g) and «DELTA»H°f298(C6F12,g) from studies of the combustion of decafluorocyclohexene and dodecafluorocylohexene in oxygen and calculation of the resonance energy of hexafluorobenzene, Can. J. Chem., 1979, 58, 685-688. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Davies, Ewing, et al., 1988
Davies, D.R.; Ewing, M.B.; Hugill, J.A.; McGlashan, M.L., The critical temperature, the critical pressure, and the dependence of vapour pressure on temperature for dodecafluorocyclohexane and hexafluorobenzene, Can. J. Chem., 1988, 66, 4, 760-762, https://doi.org/10.1139/v88-131 . [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]

McCullough, Douslin, et al., 1957
McCullough, J.P.; Douslin, D.R.; Messerly, J.F.; Hossenlopp, I.A.; Kincheloe, T.C.; Waddington, G., Pyridine: experimental and calculated chemical thermodynamic properties between 0 and 1500 K., a revised vibrational assignment, J. Am. Chem. Soc., 1957, 79, 4289-4295. [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]

Crowder, Taylor, et al., 1967
Crowder, Gene A.; Taylor, Zelma Lowell; Reed, Thomas McKennan; Young, John Adams, Vapor pressures and triple point temperatures for several pure fluorocarbons, J. Chem. Eng. Data, 1967, 12, 4, 481-485, https://doi.org/10.1021/je60035a005 . [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, 1-8, https://doi.org/10.1039/tf9575300001 . [all data]

Rowlinson and Thacker, 1957, 2
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]

Majer and Patrick, 1962
Majer, J.R.; Patrick, C.R., Ionization potentials of perfluorocycloalkanes, Nature, 1962, 193, 161. [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

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