Ethene, fluoro-
- Formula: C2H3F
- Molecular weight: 46.0436
- IUPAC Standard InChIKey: XUCNUKMRBVNAPB-UHFFFAOYSA-N
- CAS Registry Number: 75-02-5
- 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, fluoro-; Fluoroethene; Fluoroethylene; Monofluoroethylene; Vinyl fluoride; C2H3F; 1-Fluoroethylene; FC 1141; Monofluoroethene
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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 |
---|---|---|---|---|---|
ΔfH°gas | -136. | kJ/mol | Ccr | Kolesov and Papina, 1970 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1256. ± 2. | kJ/mol | Ccr | Kolesov 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 |
---|---|---|---|---|---|
Tboil | 201. | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.6 | 186. | A | Stephenson and Malanowski, 1987 | Based on data from 124. to 201. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
123.8 to 201.0 | 3.46439 | 593.551 | -30.039 | Stull, 1947 | Coefficents 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- + =
By formula: C2H2F- + H+ = C2H3F
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1618. ± 17. | kJ/mol | G+TS | Rabasco and Kass, 1992 | gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC≡CH..F-; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1586. ± 17. | kJ/mol | IMRB | Rabasco and Kass, 1992 | gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC≡CH..F-; B |
By formula: F- + C2H3F = (F- • C2H3F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65. ± 17. | kJ/mol | IMRB | Sullivan and Beauchamp, 1976 | gas phase; B |
By formula: C2H3F + HF = C2H4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50. | kJ/mol | Eqk | Moore, 1971 | gas 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 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 729. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 700.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.36 ± 0.02 | PE | Bieri, Niessen, et al., 1981 | LLK |
10.3 | PE | Dannacher, Schmelzer, et al., 1979 | LLK |
10.36 | PE | Sell, Mintz, et al., 1978 | LLK |
10.363 ± 0.015 | PI | Williamson and Beauchamp, 1976 | LLK |
10.37 | PE | Reinke, Baumgartel, et al., 1974 | LLK |
10.35 ± 0.01 | PI | Reinke, Kraessig, et al., 1973 | LLK |
10.37 | PE | Lake and Thompson, 1970 | RDSH |
10.37 ± 0.02 | PI | Momigny, 1963 | RDSH |
10.37 | PI | Bralsford, Harris, et al., 1960 | RDSH |
10.63 ± 0.02 | PE | Bieri, Niessen, et al., 1981 | Vertical value; LLK |
10.56 ± 0.02 | PE | Sell and Kuppermann, 1979 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 14.5 ± 0.1 | CH3 | PE | Dannacher, Schmelzer, et al., 1979 | LLK |
CF+ | 15.43 | ? | EI | Lifshitz and Long, 1963 | RDSH |
C2HF+ | 13.7 ± 0.1 | H2 | PE | Dannacher, Schmelzer, et al., 1979 | LLK |
C2HF+ | 13.72 | H2 | PI | Reinke, Baumgartel, et al., 1974 | LLK |
C2HF+ | 13.72 ± 0.02 | H2 | PI | Reinke, Kraessig, et al., 1973 | LLK |
C2HF+ | 14.04 | H2 | EI | Lifshitz and Long, 1963 | RDSH |
C2H2+ | 13.30 | HF | PE | Dannacher, Schmelzer, et al., 1979 | LLK |
C2H2+ | 13.51 | HF | PI | Reinke, Baumgartel, et al., 1974 | LLK |
C2H2+ | 13.51 ± 0.02 | HF | PI | Reinke, Kraessig, et al., 1973 | LLK |
C2H2+ | 13.7 ± 0.1 | HF | EI | Lifshitz and Long, 1963 | RDSH |
C2H2F+ | 13.55 | H | PE | Dannacher, Schmelzer, et al., 1979 | LLK |
C2H2F+ | 13.56 | H | PI | Reinke, Baumgartel, et al., 1974 | LLK |
C2H2F+ | 13.56 ± 0.04 | H | PI | Reinke, Kraessig, et al., 1973 | LLK |
C2H2F+ | 14.02 | H | EI | Lifshitz and Long, 1963 | RDSH |
C2H3+ | 13.9 ± 0.1 | F | PE | Dannacher, Schmelzer, et al., 1979 | LLK |
C2H3+ | 13.84 | F | PI | Reinke, Baumgartel, et al., 1974 | LLK |
C2H3+ | 13.84 ± 0.04 | F | PI | Reinke, Kraessig, et al., 1973 | LLK |
C2H3+ | 14.4 ± 0.1 | F | EI | Lifshitz and Long, 1963 | RDSH |
De-protonation reactions
C2H2F- + =
By formula: C2H2F- + H+ = C2H3F
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1618. ± 17. | kJ/mol | G+TS | Rabasco and Kass, 1992 | gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC≡CH..F-; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1586. ± 17. | kJ/mol | IMRB | Rabasco and Kass, 1992 | gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC≡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
By formula: F- + C2H3F = (F- • C2H3F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65. ± 17. | kJ/mol | IMRB | Sullivan and Beauchamp, 1976 | gas 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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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 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 230. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, 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, Gas Chromatography, 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 π 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, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point ΔcH°gas Enthalpy of combustion of gas at standard conditions 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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