Decafluorocyclohexene
- Formula: C6F10
- Molecular weight: 262.0482
- IUPAC Standard InChI: InChI=1S/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
- IUPAC Standard InChIKey: ZFFLXJVVPHACEG-UHFFFAOYSA-N
- CAS Registry Number: 355-75-9
- 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: Cyclohexene, decafluoro-
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | Cm | Andreevskii and Antonova, 1982 | uncertain value: -1903. kJ/mol | ||
| ΔfH°gas | -1932.5 ± 7.3 | kJ/mol | Ccb | Price and Sapiano, 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1906.6 ± 7.2 kJ/mol; hf_CF4=-933.0 kJ/mol incomplete combustion |
| ΔfH°gas | -1935.5 | kJ/mol | Ccr | Cox, Gundry, et al., 1964 |
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -1966.2 | kJ/mol | Ccr | Cox, Gundry, et al., 1964 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1489.54 | kJ/mol | Ccb | Price and Sapiano, 1979 | hf_CF4=-933.0 kJ/mol incomplete combustion |
| ΔcH°liquid | -2184.7 ± 2.1 | kJ/mol | Ccr | Cox, Gundry, et al., 1964 |
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 |
|---|---|---|---|---|---|
| ΔvapH° | 30.96 | kJ/mol | V | Price and Sapiano, 1979 | hf_CF4=-933.0 kJ/mol incomplete combustion; ALS |
| ΔvapH° | 31.0 | kJ/mol | N/A | Price and Sapiano, 1979 | Based on data from 277. to 319. K.; AC |
| ΔvapH° | 30.8 | kJ/mol | V | Cox, Gundry, et al., 1964 | 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
View reactions leading to C6F10+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| >1.40 ± 0.30 | Endo | Lifshitz, Tiernan, et al., 1973 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-400 CM-1)); BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
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. | 316. | Müller, Dietrich, et al., 1983 |
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.
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]
Cox, Gundry, et al., 1964
Cox, J.D.; Gundry, H.A.; Head, A.J.,
Thermodynamic properties of fluorine compounds. Part 1.-Heats of combustion of p-fluorobenzoic acid, pentafluorobenzoic acid, hexafluorobenzene and decafluorocyclohexene,
Trans. Faraday Soc., 1964, 60, 653-665. [all data]
Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M.,
Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF6, selected fluorocarbons, and other polyatomic molecules,
J. Chem. Phys., 1973, 59, 3182. [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]
Notes
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- Symbols used in this document:
EA Electron affinity ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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