Cyclohexane, dodecafluoro-
- Formula: C6F12
- Molecular weight: 300.0450
- IUPAC Standard InChI: InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
- IUPAC Standard InChIKey: RKIMETXDACNTIE-UHFFFAOYSA-N
- CAS Registry Number: 355-68-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Dodecafluorocyclohexane; Perfluorocyclohexane
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -2471. | kJ/mol | Semi | Stewart, 2004 | |
| ΔfH°gas | Cm | Andreevskii and Antonova, 1982 | uncertain value: -2369. kJ/mol; ALS | ||
| ΔfH°gas | -2370.4 ± 8.4 | kJ/mol | Ccb | Price and Sapiano, 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -2368.9 ± 7.6 kJ/mol; hf_CF4=-933.0 kJ/mol; 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 13.2 | EI | Majer and Patrick, 1962 |
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Squalane | 50. | 278. | Müller, Dietrich, et al., 1983 | |
| Packed | Apiezon L | 100. | 248. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
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.
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 ΔH°f298(C6F10,g) and ΔH°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]
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
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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