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Ethene, 1,1-difluoro-

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-344. ± 10.kJ/molCcbKolesov, Martynov, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -333. ± 10. kJ/mol
Deltafgas-325. ± 3.kJ/molCcrNeugebauer and Margrave, 1957 
Deltafgas-334.0 ± 0.84kJ/molCcbNeugebauer and Margrave, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -324. ± 3. kJ/mol
Quantity Value Units Method Reference Comment
Deltacgas-1087. ± 10.kJ/molCcbKolesov, Martynov, et al., 1962 
Deltacgas-1097. ± 3.kJ/molCcbNeugebauer and Margrave, 1956 

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

Quantity Value Units Method Reference Comment
Tboil190.KN/APCR Inc., 1990BS
Tboil190.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tc302.74KN/ATsiklis and Prokhorov, 1967TRC
Tc303.25KN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 0.7 K; by sealed tube method; TRC
Quantity Value Units Method Reference Comment
Pc44.3331barN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 1.1032 bar; from vapor pressure equation at Tc; TRC
Quantity Value Units Method Reference Comment
rhoc6.40mol/lN/ATsiklis and Prokhorov, 1967Vis in pVT apparatus, Khodeeva and Lebedeva Russ. J. Phys. Chem. 1966, 40, 1668.; TRC
rhoc6.51mol/lN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 0.23 mol/l; rectilinear diameters; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
13.2233.BGMears, Stahl, et al., 1955, 2AC
9.5273.BGMears, Stahl, et al., 1955, 2AC

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

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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: John E. Bartmess

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

Fluorine anion + Ethene, 1,1-difluoro- = (Fluorine anion bullet Ethene, 1,1-difluoro-)

By formula: F- + C2H2F2 = (F- bullet C2H2F2)

Quantity Value Units Method Reference Comment
Deltar112. ± 21.kJ/molTherSullivan and Beauchamp, 1976gas phase; From CH3CF3

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
0.0025 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

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 C2H2F2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.29 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)734.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity705.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.29PIFrenking, Koch, et al., 1984LBLHLM
10.29 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.29PESell, Mintz, et al., 1978LLK
10.29 ± 0.01PIReinke, Kraessig, et al., 1973LLK
10.31PELake and Thompson, 1970RDSH
10.31 ± 0.02PIMomigny, 1963RDSH
10.30PIBralsford, Harris, et al., 1960RDSH
10.70 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.69 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+14.92CH2FPIFrenking, Koch, et al., 1984LBLHLM
CF+14.92 ± 0.02CH2FPIReinke, Kraessig, et al., 1973LLK
CF+15.23?EILifshitz and Long, 1963RDSH
CH2+16.99 ± 0.02CF2PIReinke, Kraessig, et al., 1973LLK
CH2+17.2 ± 0.1CF2EISyrvatka, Bel'ferman, et al., 1971LLK
CH2+17.8CF2EILifshitz and Long, 1963RDSH
CH2F+14.84CFPIFrenking, Koch, et al., 1984LBLHLM
CH2F+14.84 ± 0.02CFPIReinke, Kraessig, et al., 1973LLK
CH2F+15.08CFEILifshitz and Long, 1963RDSH
C2HF+14.18HFPIFrenking, Koch, et al., 1984LBLHLM
C2HF+14.18 ± 0.03HFPIReinke, Kraessig, et al., 1973LLK
C2HF+14.44HFEILifshitz and Long, 1963RDSH
C2HF2+15.80 ± 0.04HPIReinke, Kraessig, et al., 1973LLK
C2HF2+16.67HEILifshitz and Long, 1963RDSH
C2H2+19.08 ± 0.032FPIReinke, Kraessig, et al., 1973LLK
C2H2+19.8 ± 0.1?EILifshitz and Long, 1963RDSH
C2H2F+14.37FPIFrenking, Koch, et al., 1984LBLHLM
C2H2F+14.37 ± 0.02FPIReinke, Kraessig, et al., 1973LLK
C2H2F+14.80FEILifshitz and Long, 1963RDSH

Ion clustering data

Go To: Top, Gas 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, 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

Fluorine anion + Ethene, 1,1-difluoro- = (Fluorine anion bullet Ethene, 1,1-difluoro-)

By formula: F- + C2H2F2 = (F- bullet C2H2F2)

Quantity Value Units Method Reference Comment
Deltar112. ± 21.kJ/molTherSullivan and Beauchamp, 1976gas phase; From CH3CF3

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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

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 19017

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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.

Kolesov, Martynov, et al., 1962
Kolesov, V.P.; Martynov, A.M.; Shtekher, S.M.; Skuratov, S.M., Standard enthalpies of formation of 1,1-difluoroethylene and of trifluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1962, 36, 1118-1120. [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, 1957
Neugebauer, C.A.; Margrave, J.L., Heats of formation of the fluoromethanes and fluoroethylenes, Tech. Rept., 1957, 1-45. [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]

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Tsiklis and Prokhorov, 1967
Tsiklis, D.S.; Prokhorov, V.M., Phase equilibria in systems containing fluorine compounds, Zh. Fiz. Khim., 1967, 41, 2195-9. [all data]

Mears, Stahl, et al., 1955
Mears, W.H.; Stahl, R.F.; Orfeo, S.R.; Shair, R.C.; Kells, L.F.; Thompson, W.; McCann, H., Thermodynamic Properties of Halogenated Ethanes and Ethylenes, Ind. Eng. Chem., 1955, 47, 1449. [all data]

Mears, Stahl, et al., 1955, 2
Mears, Whitney H.; Stahl, Richard F.; Orfeo, S. Robert; Shair, Robert C.; Kells, Lyman F.; Thompson, Walter; McCann, Harold, Thermodynamic Properties of Halogenated Ethanes and Ethylenes, Ind. Eng. Chem., 1955, 47, 7, 1449-1454, https://doi.org/10.1021/ie50547a052 . [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]

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]

Frenking, Koch, et al., 1984
Frenking, G.; Koch, W.; Schaale, M.; Baumgartel, H., The unimolecular decay of difluoroethene cations. An experimental and quantum-chemical study, Int. J. Mass Spectrom. Ion Phys., 1984, 61, 305. [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 «pi» electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [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]

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]


Notes

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