Cyclobutane, octafluoro-
- Formula: C4F8
- Molecular weight: 200.0300
- IUPAC Standard InChIKey: BCCOBQSFUDVTJQ-UHFFFAOYSA-N
- CAS Registry Number: 115-25-3
- 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: Cyclooctafluorobutane; Freon C 318; Freon 318; FC-C 318; Octafluorocyclobutane; Perfluorocyclobutane; Propellant C 318; R C318; Halocarbon C-138; UN 1976; Cyclobutane, 1,1,2,2,3,3,4,4-octafluoro-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: 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: -1510. kJ/mol | ||
ΔfH°gas | -1488. | kJ/mol | Ccb | Kolesov, Talakin, et al., 1968 | Correction of Kolesov, Talakin, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 291.1 | J/mol*K | N/A | Furukawa, McCoskey, et al., 1954 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
222.4 | 296.41 | Ponomareva, 1982 | T = 240 to 340 K. Value is unsmoothed experimental datum: Cp given as 1.112 J/g*K. |
209.77 | 268.52 | Furukawa, McCoskey, et al., 1954 | T = 17 to 270 K. Value is unsmoothed experimental datum. |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 267.3 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 266.88 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 223. | K | N/A | Park, Benning, et al., 1947 | Uncertainty assigned by TRC = 10. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 233. | K | N/A | Park, Benning, et al., 1947 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 232.96 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 232.96 | K | N/A | Furukawa, McCoskey, et al., 1954, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 388.46 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tc | 388.44 | K | N/A | Mousa, Kay, et al., 1972 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 388.37 | K | N/A | Douslin, Moore, et al., 1959 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 27.84 | bar | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.05 bar; TRC |
Pc | 27.85 | bar | N/A | Mousa, Kay, et al., 1972 | Uncertainty assigned by TRC = 0.0344 bar; TRC |
Pc | 27.775 | bar | N/A | Douslin, Moore, et al., 1959 | Uncertainty assigned by TRC = 0.081 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.325 | l/mol | N/A | Douslin, Moore, et al., 1959 | Uncertainty assigned by TRC = 0.02 l/mol; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.721 | 261.25 | N/A | Furukawa, McCoskey, et al., 1954 | P = 78.78; DH |
23.5 | 304. | A | Stephenson and Malanowski, 1987 | Based on data from 289. to 348. K.; AC |
23.2 | 358. | A | Stephenson and Malanowski, 1987 | Based on data from 343. to 388. K.; AC |
24.9 | 259. | A | Stephenson and Malanowski, 1987 | Based on data from 233. to 274. K. See also Furukawa, McCoskey, et al., 1954, 2.; AC |
25. | 248. | N/A | Kletskii and Petrik, 1967 | Based on data from 233. to 388. K.; AC |
25. | 254. | N/A | Martin, 1962 | Based on data from 234. to 269. K. See also Boublik, Fried, et al., 1984.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
90.80 | 261.25 | Furukawa, McCoskey, et al., 1954 | P; DH |
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 |
---|---|---|---|---|---|
233. to 388.37 | 4.254 | 1007.399 | -30.205 | Kletskii and Petric, 1967 | Coefficents calculated by NIST from author's data. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.7682 | 232.96 | crystaline, I | liquid | Furukawa, McCoskey, et al., 1954 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
11.89 | 232.96 | crystaline, I | liquid | Furukawa, McCoskey, et al., 1954 | DH |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00025 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
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
View reactions leading to C4F8+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.630 ± 0.050 | Kine | Miller, Freidman, et al., 2004 | Re-determination of foreward/reverse rates constants, to refute Hiraoka, Mizuno, et al., 2002 higher value.See also Bopp, Roscioli, et al., 2007; B |
0.630 ± 0.020 | Kine | Miller, Morris, et al., 1994 | FALP experiment: ratio of attach/detach rate constants; B |
0.520 ± 0.052 | IMRE | Hiraoka, Mizuno, et al., 2002 | isomer, accessible at >350 K; B |
1.05 ± 0.10 | IMRE | Hiraoka, Mizuno, et al., 2002 | equilibrium vs. SF6; may be kinetic stationary state; B |
>0.40 ± 0.30 | Endo | Lifshitz, Tiernan, et al., 1973 | B |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF3+ | 15.7 | ? | EI | Bibby and Carter, 1963 | RDSH |
C2F4+ | 12.25 | ? | EI | Bibby and Carter, 1963 | RDSH |
C3F5+ | 12.25 | ? | EI | Bibby and Carter, 1963 | RDSH |
F+ | 24.0 | ? | EI | Bibby and Carter, 1963 | RDSH |
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | 9037 |
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
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Porapack Q | 310. | Zenkevich and Rodin, 2004 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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.
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]
Kolesov, Talakin, et al., 1968
Kolesov, V.P.; Talakin, O.G.; Skuratov, S.M.,
Enthalpy of formation of some specimens of amorphous carbon,
Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1218-1220. [all data]
Kolesov, Talakin, et al., 1964
Kolesov, V.P.; Talakin, O.G.; Skuratov, S.M.,
Standard enthalpy of formation of perfluorocyclobutane,
Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 930-931. [all data]
Furukawa, McCoskey, et al., 1954
Furukawa, G.T.; McCoskey, R.E.; Reilly, M.L.,
Heat capacity, heats of transitions, fusion and vaporization, and vapor pressure of octafluorocyclobutane,
J. Res., 1954, NBS 52, 11-16. [all data]
Ponomareva, 1982
Ponomareva, O.P.,
Study of the isobaric heat capacity of Freon-113 and Freon-C318 in a broad range of parametric conditions, Teplofiz. Svoistva Veshchestv i Materialov,
Moskva, 1982, 16, 64-70. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Krauss and Stephan, 1989
Krauss, R.; Stephan, K.,
Thermal Conductivity of Refrigerants in a Wide Range of Temperature and Pressure,
J. Phys. Chem. Ref. Data, 1989, 18, 43. [all data]
Park, Benning, et al., 1947
Park, J.D.; Benning, A.F.; Downing, F.B.; Laucius, J.F.; McHarness, R.C.,
Synthesis of Tetrafluoroethylene. Pyrolysis of Monochlorodifluoromethane,
Ind. Eng. Chem., 1947, 39, 343-8. [all data]
Furukawa, McCoskey, et al., 1954, 2
Furukawa, G.T.; McCoskey, R.E.; Reilly, M.L.,
Heat capacity, heats of transitions, fusion, and vaporization, and vapor pressure of octafluorocyclobutane,
J. RES. NATL. BUR. STAN., 1954, 52, 1, 11, https://doi.org/10.6028/jres.052.003
. [all data]
Mousa, Kay, et al., 1972
Mousa, A.H.N.; Kay, W.B.; Kreglewski, A.,
The critical constants of binary mixtures of certain perfluoro-compounds with alkanes,
J. Chem. Thermodyn., 1972, 4, 301-11. [all data]
Douslin, Moore, et al., 1959
Douslin, D.R.; Moore, R.T.; Waddington, G.,
The pressure-volume-temperature properties of perfluorocyclobutane: equations of state, viral coefficients and intermolecular potential energy functions,
J. Phys. Chem., 1959, 63, 1959. [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]
Kletskii and Petrik, 1967
Kletskii, A.V.; Petrik, L.E.,
Zh. Fiz. Khim., 1967, 41, 5, 1183. [all data]
Martin, 1962
Martin, J.J.,
Thermodynamic Properties of Perfluorocyclobutane.,
J. Chem. Eng. Data, 1962, 7, 1, 68-72, https://doi.org/10.1021/je60012a020
. [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]
Kletskii and Petric, 1967
Kletskii, A.B.; Petric, L.E.,
Dependence of Vapor Pressure of Perfluorocyclobutane,
Zh. Fiz. Khim., 1967, 41, 1183-1184. [all data]
Miller, Freidman, et al., 2004
Miller, T.M.; Freidman, J.F.; Viggiano, A.A.,
Electron Attachment and detachment and the Electron Affinity of cyclo-C4F8,
J. Chem. Phys., 2004, 120, 15, 7024-7028, https://doi.org/10.1063/1.1683082
. [all data]
Hiraoka, Mizuno, et al., 2002
Hiraoka, K.; Mizuno, T.; Eguchi, D.; Takao, K.; Iino, T.; Yamabe, S.,
Gas-phase ion/molecule reactions in octafluorocyclobutane,
J. Chem. Phys., 2002, 116, 17, 7574-7582, https://doi.org/10.1063/1.1400787
. [all data]
Bopp, Roscioli, et al., 2007
Bopp, J.C.; Roscioli, J.R.; Johnson, M.A.; Miller, T.M.; Viggiano, A.A.; Villano, S.M.; Wren, S.W.; Lineberger,
Spectroscopic characterization of the isolated SF6- and C4F8- anions: Observation of very long harmonic progressions in symmetric deformation modes upon photodetachment,
J. Phys. Chem. A, 2007, 111, 7, 1214-1221, https://doi.org/10.1021/jp0665372
. [all data]
Miller, Morris, et al., 1994
Miller, T.M.; Morris, R.A.; Miller, A.E.S.; Viggiano, A.A.; Paulson, J.F.,
Observation of Thermal Electron Detachment from Cyclo-C4F8- in FALP Experiments,
Int. J. Mass Spectrom. Ion Proc., 1994, 135, 2-3, 195, https://doi.org/10.1016/0168-1176(94)03999-2
. [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]
Bibby and Carter, 1963
Bibby, M.M.; Carter, G.,
Ionization and dissociation in some fluorocarbon gases,
J. Chem. Soc. Faraday Trans., 1963, 59, 2455. [all data]
Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A.,
Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices,
J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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