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, Reaction thermochemistry 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: -361.0 kcal/mol | ||
ΔfH°gas | -355.7 | kcal/mol | Ccb | Kolesov, Talakin, et al., 1968 | Correction of Kolesov, Talakin, et al., 1964 |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C4F8 + 4Na = 4C + 8FNa
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -714.5 ± 2.2 | kcal/mol | Ccb | Kolesov, Talakin, et al., 1968 | gas phase; Correction of Kolesov, Talakin, et al., 1964 |
By formula: 2C2F4 = C4F8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50.3 | kcal/mol | Eqk | Atkinson and Trenwith, 1953 | gas phase; At 527-800 °K |
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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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, Reaction thermochemistry 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, Reaction thermochemistry 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]
Atkinson and Trenwith, 1953
Atkinson, B.; Trenwith, A.B.,
424. The thermal decomposition of tetrafluorethylene,
J. Chem. Soc. London, 1953, 2082-2087. [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, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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