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Ethene, fluoro-

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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
Deltafgas-136.kJ/molCcrKolesov and Papina, 1970 
Quantity Value Units Method Reference Comment
Deltacgas-1256. ± 2.kJ/molCcrKolesov and Papina, 1970 

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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil201.KN/APCR Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
16.6186.AStephenson and Malanowski, 1987Based on data from 124. - 201. K. See also Stull, 1947.; AC

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
123.8 - 201.03.46439593.551-30.039Stull, 1947Coefficents calculated by NIST from author's data.

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 as indicated in comments:
B - John E. Bartmess
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

C2H2F- + Hydrogen cation = Ethene, fluoro-

By formula: C2H2F- + H+ = C2H3F

Quantity Value Units Method Reference Comment
Deltar1618. ± 17.kJ/molG+TSRabasco and Kass, 1992gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC«equiv»CH..F-; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 17.kJ/molIMRBRabasco and Kass, 1992gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC«equiv»CH..F-; B

Fluorine anion + Ethene, fluoro- = (Fluorine anion bullet Ethene, fluoro-)

By formula: F- + C2H3F = (F- bullet C2H3F)

Quantity Value Units Method Reference Comment
Deltar65. ± 17.kJ/molIMRBSullivan and Beauchamp, 1976gas phase; B

Ethene, fluoro- + hydrogen fluoride = Ethane, 1,1-difluoro-

By formula: C2H3F + HF = C2H4F2

Quantity Value Units Method Reference Comment
Deltar-50.kJ/molEqkMoore, 1971gas phase; ALS

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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 C2H3F+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.36 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)729.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity700.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.36 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.3PEDannacher, Schmelzer, et al., 1979LLK
10.36PESell, Mintz, et al., 1978LLK
10.363 ± 0.015PIWilliamson and Beauchamp, 1976LLK
10.37PEReinke, Baumgartel, et al., 1974LLK
10.35 ± 0.01PIReinke, Kraessig, et al., 1973LLK
10.37PELake and Thompson, 1970RDSH
10.37 ± 0.02PIMomigny, 1963RDSH
10.37PIBralsford, Harris, et al., 1960RDSH
10.63 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.56 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+14.5 ± 0.1CH3PEDannacher, Schmelzer, et al., 1979LLK
CF+15.43?EILifshitz and Long, 1963RDSH
C2HF+13.7 ± 0.1H2PEDannacher, Schmelzer, et al., 1979LLK
C2HF+13.72H2PIReinke, Baumgartel, et al., 1974LLK
C2HF+13.72 ± 0.02H2PIReinke, Kraessig, et al., 1973LLK
C2HF+14.04H2EILifshitz and Long, 1963RDSH
C2H2+13.30HFPEDannacher, Schmelzer, et al., 1979LLK
C2H2+13.51HFPIReinke, Baumgartel, et al., 1974LLK
C2H2+13.51 ± 0.02HFPIReinke, Kraessig, et al., 1973LLK
C2H2+13.7 ± 0.1HFEILifshitz and Long, 1963RDSH
C2H2F+13.55HPEDannacher, Schmelzer, et al., 1979LLK
C2H2F+13.56HPIReinke, Baumgartel, et al., 1974LLK
C2H2F+13.56 ± 0.04HPIReinke, Kraessig, et al., 1973LLK
C2H2F+14.02HEILifshitz and Long, 1963RDSH
C2H3+13.9 ± 0.1FPEDannacher, Schmelzer, et al., 1979LLK
C2H3+13.84FPIReinke, Baumgartel, et al., 1974LLK
C2H3+13.84 ± 0.04FPIReinke, Kraessig, et al., 1973LLK
C2H3+14.4 ± 0.1FEILifshitz and Long, 1963RDSH

De-protonation reactions

C2H2F- + Hydrogen cation = Ethene, fluoro-

By formula: C2H2F- + H+ = C2H3F

Quantity Value Units Method Reference Comment
Deltar1618. ± 17.kJ/molG+TSRabasco and Kass, 1992gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC«equiv»CH..F-; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 17.kJ/molIMRBRabasco and Kass, 1992gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC«equiv»CH..F-; B

Ion clustering 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: 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

Fluorine anion + Ethene, fluoro- = (Fluorine anion bullet Ethene, fluoro-)

By formula: F- + C2H3F = (F- bullet C2H3F)

Quantity Value Units Method Reference Comment
Deltar65. ± 17.kJ/molIMRBSullivan and Beauchamp, 1976gas phase

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 79

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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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101230.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Kolesov and Papina, 1970
Kolesov, V.P.; Papina, T.S., Standard enthalpy of formation of vinyl fluoride, Russ. J. Phys. Chem. (Engl. Transl.), 1970, 44, 611-613. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Rabasco and Kass, 1992
Rabasco, J.J.; Kass, S.R., Reactions of Strong Bases with Vinyl Fluoride Formation and Characterization of 1-Fluorovinyl Anion and the Fluoride-Acetylene Hydrogen-Bond, J. Am. Soc. Mass Spectrom., 1992, 3, 2, 91, https://doi.org/10.1016/1044-0305(92)87041-V . [all data]

Sullivan and Beauchamp, 1976
Sullivan, S.A.; Beauchamp, J.L., Competition between proton transfer and elimination in the reactions of strong bases with fluoroethanes in the gas phase. Influence of base strength on reactivity, J. Am. Chem. Soc., 1976, 98, 1160. [all data]

Moore, 1971
Moore, L.O., Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride, Can. J. Chem., 1971, 49, 2471-2475. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

Dannacher, Schmelzer, et al., 1979
Dannacher, J.; Schmelzer, A.; Stadelmann, J.-P.; Vogt, J., A photoelectron-photoion coincidence study of vinylfluoride, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 175. [all data]

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

Williamson and Beauchamp, 1976
Williamson, A.D.; Beauchamp, J.L., Ion molecule reactions in vinyl fluoride by photoionization. Effects of vibrational excitation on major reaction pathways, J. Chem. Phys., 1976, 65, 3196. [all data]

Reinke, Baumgartel, et al., 1974
Reinke, D.; Baumgartel, H.; Cvitas, T.; Klasinc, L.; Gusten, H., Vergleich der Photoelektronenspektren und Photoionenspektren von Vinylfluorid, Ber. Bunsen-Ges. Phys. Chem., 1974, 78, 1145. [all data]

Reinke, Kraessig, et al., 1973
Reinke, D.; Kraessig, R.; Baumgartel, H., Photoreactions of small organic molecules, Z. Naturforsch. A:, 1973, 28, 1021. [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]

Momigny, 1963
Momigny, J., Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives, Nature, 1963, 199, 1179. [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]

Lifshitz and Long, 1963
Lifshitz, C.; Long, F.A., Appearance potentials and mass spectra of fluorinated ethylenes. I. Decomposition mechanisms and their energetics, J. Phys. Chem., 1963, 67, 2463. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References