Ethane, 1,1-difluoro-

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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-497.0 ± 4.0kJ/molCcbKolesov, Shtekher, et al., 1968Reanalyzed by Kolesov and Papina, 1983, Original value = -490.8 ± 8.4 kJ/mol
Quantity Value Units Method Reference Comment
Δcgas-1220. ± 8.4kJ/molCcbKolesov, Shtekher, et al., 1968 

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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

Chlorine anion + Ethane, 1,1-difluoro- = (Chlorine anion • Ethane, 1,1-difluoro-)

By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)

Quantity Value Units Method Reference Comment
Δr62.3 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr34. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

3Hydrogen + Ethene, 1,1-dichloro-2,2-difluoro- = Ethane, 1,1-difluoro- + 2Hydrogen chloride

By formula: 3H2 + C2Cl2F2 = C2H4F2 + 2HCl

Quantity Value Units Method Reference Comment
Δr-348.7kJ/molChydLacher, Kianpour, et al., 1956gas phase; At 410 K; ALS

2Hydrogen + Ethene, 2-chloro-1,1-difluoro- = Ethane, 1,1-difluoro- + Hydrogen chloride

By formula: 2H2 + C2HClF2 = C2H4F2 + HCl

Quantity Value Units Method Reference Comment
Δr-258.4kJ/molChydLacher, Kianpour, et al., 1956gas phase; At 410 K; ALS

Ethane, 1,1-difluoro- + Iodine = Hydrogen iodide + 1-Bromo-1,1-difluoroethane

By formula: C2H4F2 + I2 = HI + C2H3BrF2

Quantity Value Units Method Reference Comment
Δr51.0 ± 0.8kJ/molEqkPickard and Rodgers, 1977gas phase; ALS

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

By formula: C2H3F + HF = C2H4F2

Quantity Value Units Method Reference Comment
Δr-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:
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

Quantity Value Units Method Reference Comment
IE (evaluated)11.865 ± 0.030eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.865 ± 0.030PIHeinis, Bar, et al., 1985LBLHLM
11.864 ± 0.029PIHeinis, Bar, et al., 1984LBLHLM
12.68EILifshitz and Long, 1965RDSH
12.8PESauvageau, Doucet, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHF2+12.808 ± 0.020CH3PIHeinis, Bar, et al., 1985LBLHLM
CHF2+13.21CH3EILifshitz and Long, 1965RDSH
CH2F+14.66 ± 0.04CH2FPIHeinis, Bar, et al., 1985LBLHLM
CH3+14.25 ± 0.05CHF2PIHeinis, Bar, et al., 1985LBLHLM
CH3+18.6?EILifshitz and Long, 1965RDSH
C2H2F+≤14.67 ± 0.06F-+H2PIHeinis, Bar, et al., 1985LBLHLM
C2H2F+15.52 ± 0.04HF+HPIHeinis, Bar, et al., 1985LBLHLM
C2H2F2+16.5H2EILifshitz and Long, 1965RDSH
C2H3+15.07 ± 0.05F-+HFPIHeinis, Bar, et al., 1985LBLHLM
C2H3+15.73 ± 0.05F+HFPIHeinis, Bar, et al., 1985LBLHLM
C2H3F+13.40 ± 0.05HFPIHeinis, Bar, et al., 1985LBLHLM
C2H3F+14.8?EILifshitz and Long, 1965RDSH
C2H3F2+12.203 ± 0.030HPIHeinis, Bar, et al., 1985LBLHLM
C2H3F2+12.203 ± 0.024HPIHeinis, Bar, et al., 1984LBLHLM
C2H3F2+12.18 ± 0.03HPIWilliamson, LeBreton, et al., 1976LLK
C2H3F2+12.33HEILifshitz and Long, 1965RDSH
C2H4F+13.6 ± 0.1FPIHeinis, Bar, et al., 1985LBLHLM
C2H4F+11.87 ± 0.06F-PIHeinis, Bar, et al., 1985LBLHLM
C2H4F+14.8 ± 0.1FEISimmie and Tschuikow-Roux, 1971LLK
C2H4F+14.9FEILifshitz and Long, 1965RDSH

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Chlorine anion + Ethane, 1,1-difluoro- = (Chlorine anion • Ethane, 1,1-difluoro-)

By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)

Quantity Value Units Method Reference Comment
Δr62.3 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr34. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

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 197

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Gas Chromatography

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: 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-101326.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-1242.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C

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), Gas Chromatography, Notes

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

Kolesov, Shtekher, et al., 1968
Kolesov, V.P.; Shtekher, S.N.; Martynov, A.M.; Skuratov, S.M., Standard enthalpy of formation of 1,1-difluoroethane, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 975-976. [all data]

Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S., Thermochemistry of Haloethanes, Russ. Chem. Rev., 1983, 52, 425. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D., Reaction calorimetry. The hydrogenation of organic fluorides and chlorides, Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]

Pickard and Rodgers, 1977
Pickard, J.M.; Rodgers, A.S., The kinetics and thermochemistry of the reaction of 1,1-difluoroethane with iodine. The difluoromethylene-hydrogen bond dissociation energy in 1,1-difluoroethane and the heat of formation of 1,1-difluoroethyl, J. Am. Chem. Soc., 1977, 99, 691-694. [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]

Heinis, Bar, et al., 1985
Heinis, T.; Bar, R.; Borlin, K.; Jungen, M., Photoionization mass spectrometry of 1,1-difluoroethane, Chem. Phys., 1985, 94, 235. [all data]

Heinis, Bar, et al., 1984
Heinis, T.; Bar, R.; Borlin, K.; Jungen, M., Photoionization of 1,1-difluoroethane: The structure of the C2H3F2+ ions, Chem. Phys. Lett., 1984, 105, 327. [all data]

Lifshitz and Long, 1965
Lifshitz, C.; Long, F.A., Appearance potentials and mass spectra of fluorinated ethylenes. II. Heats offormation of fluorinated species and their positive ions, J. Phys. Chem., 1965, 69, 3731. [all data]

Sauvageau, Doucet, et al., 1974
Sauvageau, P.; Doucet, J.; Gilbert, R.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoroethanes, J. Chem. Phys., 1974, 61, 391. [all data]

Williamson, LeBreton, et al., 1976
Williamson, A.D.; LeBreton, P.R.; Beauchamp, J.L., Photoionization mass spectrometry of 2-fluoropropane and 2,2-difluoropropane. A novel determination of the proton affinity of vinyl fluoride and 1,1-difluoroethylene, J. Am. Chem. Soc., 1976, 98, 2705. [all data]

Simmie and Tschuikow-Roux, 1971
Simmie, J.M.; Tschuikow-Roux, E., Mass spectrum, appearance potentials and bond dissociation energies of 1,1,1-trifluoroethane, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 41. [all data]

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

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [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), Gas Chromatography, References