Ethene, tetrafluoro-

• Formula: C₂F₄
• Molecular weight: 100.0150
• IUPAC Standard InChI: InChI=1S/C2F4/c3-1(4)2(5)6 Copy

  
• IUPAC Standard InChIKey: BFKJFAAPBSQJPD-UHFFFAOYSA-N Copy
• CAS Registry Number: 116-14-3
• 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: Ethylene, tetrafluoro-; Perfluoroethene; Perfluoroethylene; Tetrafluoroethene; Tetrafluoroethylene; TFE; C2F4; Fluoroplast 4; Tetrafluorethylene; 1,1,2,2-Tetrafluoroethylene; Tetrafluorethene; Ethene, 1,1,2,2-tetrafluoro-
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
B - John E. Bartmess
MS - José A. Martinho Simões
ALS - 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

 +  = C₂ClF₄^-

By formula: Cl^- + C₂F₄ = C₂ClF₄^-

 +  = C₂BrF₄^-

By formula: Br^- + C₂F₄ = C₂BrF₄^-

C₇CrF₄O₅ (g) =  (g) + C₅CrO₅ (g)

By formula: C₇CrF₄O₅ (g) = C₂F₄ (g) + C₅CrO₅ (g)

C₂ClF₄^- + 2 = C₄ClF₈^-

By formula: C₂ClF₄^- + 2C₂F₄ = C₄ClF₈^-

C₄ClF₈^- + 3 = C₆ClF₁₂^-

By formula: C₄ClF₈^- + 3C₂F₄ = C₆ClF₁₂^-

C₆ClF₁₂^- + 4 = C₈ClF₁₆^-

By formula: C₆ClF₁₂^- + 4C₂F₄ = C₈ClF₁₆^-

C₂BrF₄^- + 2 = C₄BrF₈^-

By formula: C₂BrF₄^- + 2C₂F₄ = C₄BrF₈^-

 +  =

By formula: HBr + C₂F₄ = C₂HBrF₄

=  + 

By formula: C₂F₄I₂ = C₂F₄ + I₂

 +  =

By formula: C₂F₄ + Cl₂ = C₂Cl₂F₄

 + 2 = 2 + 4

By formula: C₂F₄ + 2H₂ = 2C + 4HF

 +  =

By formula: C₂F₄ + Br₂ = C₂Br₂F₄

 + 4 = 4 + 2

By formula: C₂F₄ + 4Na = 4FNa + 2C

2 =  + 2

By formula: 2CHClF₂ = C₂F₄ + 2HCl

2 =

By formula: 2C₂F₄ = C₄F₈

 + 2 = 2

By formula: C₂F₄ + 2F₂ = 2CF₄

=  + 

By formula: C₂Br₂F₄ = C₂F₄ + Br₂

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₂F₄⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = C₂BrF₄^-

By formula: Br^- + C₂F₄ = C₂BrF₄^-

C₂BrF₄^- + 2 = C₄BrF₈^-

By formula: C₂BrF₄^- + 2C₂F₄ = C₄BrF₈^-

C₂ClF₄^- + 2 = C₄ClF₈^-

By formula: C₂ClF₄^- + 2C₂F₄ = C₄ClF₈^-

C₄ClF₈^- + 3 = C₆ClF₁₂^-

By formula: C₄ClF₈^- + 3C₂F₄ = C₆ClF₁₂^-

C₆ClF₁₂^- + 4 = C₈ClF₁₆^-

By formula: C₆ClF₁₂^- + 4C₂F₄ = C₈ClF₁₆^-

 +  = C₂ClF₄^-

By formula: Cl^- + C₂F₄ = C₂ClF₄^-

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

• GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Takehiko Shimanouchi

Symmetry:   D_2h     Symmetry Number σ = 4

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Kolesov, Zenkov, et al., 1962
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M., The standard enthalpy of formation of tetrafluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1962, 36, 45-47. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Neugebauer and Margrave, 1956
Neugebauer, C.A.; Margrave, J.L., The heats of formation of tetrafluoroethylene, tetrafluoromethane and 1,1-difluoroethylene, J. Phys. Chem., 1956, 60, 1318-1321. [all data]

Wartenberg and Schiefer, 1955
Wartenberg, H.V.; Schiefer, J., Bildungswarmen von fluor-chlor-kohlenstoff-verbindungen, Z. Anorg. Chem., 1955, 278, 326-332. [all data]

Kirkbride and Davidson, 1954
Kirkbride, F.W.; Davidson, F.G., Heats of formation of gaseous fluoro- and fluorochloro-carbons, Nature (London), 1954, 174, 79-80. [all data]

Hiraoka, Mochizuki, et al., 2008
Hiraoka, K.; Mochizuki, N.; Wada, A.; Okada, H.; Ichikawa, T.; Asakawa, D.; Yazawa, I., Gas-phase ion/molecule reactions in C2F4, Int. J. Mass Spectrom., 2008, 272, 1, 22-28, https://doi.org/10.1016/j.ijms.2007.12.013 . [all data]

Curtiss, Raghavachari, et al., 7374
Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Pople, J.A., Assesment of Gaussian-3 and density Functional Theories for a larger experimental test set, J. Chem. Phys. 112 (2000), 7374. [all data]

Wells, House, et al., 1994
Wells, J.R.; House, P.G.; Weitz, E., J. Phys. Chem., 1994, 98, 8343. [all data]

Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D., Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins, J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]

Wu, Pickard, et al., 1975
Wu, E.C.; Pickard, J.M.; Rodgers, A.S., Thermochemistry of the gas-phase reaction tetrafluoroethylene + iodine = 1,2-diiodoperfluoroethane. Heat of formation of 1,2-diiodoperfluoroethane and of iodoperfluoroethane, J. Phys. Chem., 1975, 79, 1078-1081. [all data]

Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Snow, C.M.; Michel, L.; Nelson, G.; Park, J.D., Reaction heats of organic fluorine compounds. I. Apparatus and the heat of chlorination of tetrafluoroethylene, J. Am. Chem. Soc., 1949, 71, 1330-1334. [all data]

Lacher, Casali, et al., 1956
Lacher, J.R.; Casali, L.; Park, J.D., Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene, J. Phys. Chem., 1956, 60, 608-610. [all data]

Edwards and Small, 1965
Edwards, J.W.; Small, P.A., Kinetics of the pyrolysis of chlorodifluoromethane, Ind. Eng. Chem. Fundam., 1965, 4, 396-400. [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]

Domalski and Armstrong, 1967
Domalski, E.S.; Armstrong, G.T., The heats of combustion of polytetrafluoroethylene (teflon) and graphite in elemental fluorine, J. Res. NBS, 1967, 71, 105-118. [all data]

Buckley, Johnson, et al., 1995
Buckley, T.J.; Johnson, R.D.; Huie, R.E.; Zhang, Z.; Kuo, S.C.; Klemm, R.B., Ionization energies, appearance energies, and thermochemistry of CF₂O and FCO, J. Phys. Chem., 1995, 99, 4879. [all data]

Bieri, Niessen, et al., 1981
Bieri, G.; Niessen, W.V.; Asbrink, L.; Svensson, A., The He(II) photoelectron spectra of the fluorosubstituted ethylenes and their analysis by the green's function method, Chem. Phys., 1981, 60, 61. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [all data]

Cullen, Frost, et al., 1972
Cullen, W.R.; Frost, D.C.; Leeder, W.R., The ultraviolet and photoelectron spectra of some unsaturated fluorocarbon derivatives, J. Fluorine Chem., 1972, 1, 227. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H., Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules, J. Am. Chem. Soc., 1972, 94, 1451. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [all data]

Walter, Lifshitz, et al., 1969
Walter, T.A.; Lifshitz, C.; Chupka, W.A.; Berkowitz, J., Mass-spectrometric study of the photoionization of C₂F₄ and CF₄, J. Chem. Phys., 1969, 51, 3531. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Sell and Kuppermann, 1979
Sell, J.A.; Kuppermann, A., Variable angle photoelectron spectroscopy of the fluoroethylenes, J. Chem. Phys., 1979, 71, 4703. [all data]

Robin, Taylor, et al., 1973
Robin, M.B.; Taylor, G.N.; Kuebler, N.A.; Bach, R.D., Planarity of the carbon skeleton in various alkylated olefins, J. Org. Chem., 1973, 38, 1049. [all data]

Syrvatka, Bel'ferman, et al., 1971
Syrvatka, B.G.; Bel'ferman, A.L.; Gil'burd, M.M.; Moin, F.B., Determination of the dissociation energy of the double bond in some fluorochloro-substituted ethylenes and their ions by electron bombardment, J. Org. Chem. USSR, 1971, 7, 8, In original 9. [all data]

Zmbov, Uy, et al., 1968
Zmbov, K.F.; Uy, M.; Margrave, J.L., Mass spectrometric study of the high-temperature equilibrium C₂F₄ = 2CF₂ and the heat of formation of the CF₂ radical, J. Am. Chem. Soc., 1968, 90, 5090. [all data]

Pottie, 1965
Pottie, R.F., Ionization potential and heat of formation of the difluoromethylene radical, J. Chem. Phys., 1965, 42, 2607. [all data]

Tikhomirov and Komarov, 1966
Tikhomirov, M.V.; Komarov, V.N., Effect of the surface on the mass spectrum of tetrafluoroethylene and the appearance potential of F⁺, Zh. Fiz. Khim., 1966, 40, 1392, In original 751. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.