Cyclobutane, octafluoro-

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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
Δfgas  CmAndreevskii and Antonova, 1982uncertain value: -361.0 kcal/mol
Δfgas-355.7kcal/molCcbKolesov, Talakin, et al., 1968Correction 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
liquid69.57cal/mol*KN/AFurukawa, McCoskey, et al., 1954 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
53.15296.41Ponomareva, 1982T = 240 to 340 K. Value is unsmoothed experimental datum: Cp given as 1.112 J/g*K.
50.136268.52Furukawa, McCoskey, et al., 1954T = 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
Tboil267.3KN/APCR Inc., 1990BS
Tboil266.88KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.2 K; TRC
Tboil223.KN/APark, Benning, et al., 1947Uncertainty assigned by TRC = 10. K; TRC
Quantity Value Units Method Reference Comment
Tfus233.KN/APark, Benning, et al., 1947Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Ttriple232.96KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple232.96KN/AFurukawa, McCoskey, et al., 1954, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc388.46KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.3 K; TRC
Tc388.44KN/AMousa, Kay, et al., 1972Uncertainty assigned by TRC = 0.2 K; TRC
Tc388.37KN/ADouslin, Moore, et al., 1959Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Pc27.48atmN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.05 atm; TRC
Pc27.49atmN/AMousa, Kay, et al., 1972Uncertainty assigned by TRC = 0.0340 atm; TRC
Pc27.412atmN/ADouslin, Moore, et al., 1959Uncertainty assigned by TRC = 0.080 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.325l/molN/ADouslin, Moore, et al., 1959Uncertainty assigned by TRC = 0.02 l/mol; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.6695261.25N/AFurukawa, McCoskey, et al., 1954P = 78.78; DH
5.62304.AStephenson and Malanowski, 1987Based on data from 289. to 348. K.; AC
5.54358.AStephenson and Malanowski, 1987Based on data from 343. to 388. K.; AC
5.95259.AStephenson and Malanowski, 1987Based on data from 233. to 274. K. See also Furukawa, McCoskey, et al., 1954, 2.; AC
6.0248.N/AKletskii and Petrik, 1967Based on data from 233. to 388. K.; AC
6.0254.N/AMartin, 1962Based on data from 234. to 269. K. See also Boublik, Fried, et al., 1984.; AC

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
21.70261.25Furukawa, McCoskey, et al., 1954P; DH

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
233. to 388.374.2481007.399-30.205Kletskii and Petric, 1967Coefficents calculated by NIST from author's data.

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.66162232.96crystaline, IliquidFurukawa, McCoskey, et al., 1954DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.842232.96crystaline, IliquidFurukawa, McCoskey, et al., 1954DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Cyclobutane, octafluoro- + 4sodium = 4carbon + 8sodium fluoride

By formula: C4F8 + 4Na = 4C + 8FNa

Quantity Value Units Method Reference Comment
Δr-714.5 ± 2.2kcal/molCcbKolesov, Talakin, et al., 1968gas phase; Correction of Kolesov, Talakin, et al., 1964

2Ethene, tetrafluoro- = Cyclobutane, octafluoro-

By formula: 2C2F4 = C4F8

Quantity Value Units Method Reference Comment
Δr-50.3kcal/molEqkAtkinson and Trenwith, 1953gas phase; At 527-800 °K

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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00025 QN/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 ± 0.050KineMiller, Freidman, et al., 2004Re-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 ± 0.020KineMiller, Morris, et al., 1994FALP experiment: ratio of attach/detach rate constants; B
0.520 ± 0.052IMREHiraoka, Mizuno, et al., 2002isomer, accessible at >350 K; B
1.05 ± 0.10IMREHiraoka, Mizuno, et al., 2002equilibrium vs. SF6; may be kinetic stationary state; B
>0.40 ± 0.30EndoLifshitz, Tiernan, et al., 1973B

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+15.7?EIBibby and Carter, 1963RDSH
C2F4+12.25?EIBibby and Carter, 1963RDSH
C3F5+12.25?EIBibby and Carter, 1963RDSH
F+24.0?EIBibby and Carter, 1963RDSH

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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IR 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

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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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

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References