Cyclohexane, dodecafluoro-
- Formula: C6F12
- Molecular weight: 300.0450
- 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
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
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 | -590.5 | kcal/mol | Semi | Stewart, 2004 | |
ΔfH°gas | Cm | Andreevskii and Antonova, 1982 | uncertain value: -566.2 kcal/mol; ALS | ||
ΔfH°gas | -566.5 ± 2.0 | kcal/mol | Ccb | Price and Sapiano, 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -566.2 ± 1.8 kcal/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 |
---|---|---|---|---|---|
ΔcH°liquid | -318.1 ± 1.8 | kcal/mol | Ccb | Price and Sapiano, 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -318.071 kcal/mol; hf_CF4=-933.0 kJ/mol |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
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° | 8.599 | kcal/mol | V | Price and Sapiano, 1979 | hf_CF4=-933.0 kJ/mol; ALS |
ΔvapH° | 8.60 | kcal/mol | N/A | Price and Sapiano, 1979 | Based on data from 274. to 322. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.69 | 388. | N/A | Davies, Ewing, et al., 1988 | Based on data from 373. to 457. K.; AC |
6.72 | 365. | A | Stephenson and Malanowski, 1987 | Based on data from 350. to 451. K.; AC |
7.07 | 351. | N/A | McCullough, Douslin, et al., 1957 | Based on data from 336. to 394. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
350.32 to 451.01 | 4.20013 | 1212.323 | -34.221 | Crowder, Taylor, et al., 1967 | Coefficents calculated by NIST from author's data. |
292.96 to 394.5 | 3.18131 | 605.954 | -135.245 | Rowlinson and Thacker, 1957 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.70 | 267. | A | Stephenson and Malanowski, 1987 | Based on data from 252. to 326. K. See also Crowder, Taylor, et al., 1967.; AC |
8.65 | 313. | N/A | Rowlinson and Thacker, 1957, 2 | Based on data from 293. to 333. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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 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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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