Ethane, 1,1-difluoro-

Data at NIST subscription sites:

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, 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
Δfgas-118.78 ± 0.95kcal/molCcbKolesov, Shtekher, et al., 1968Reanalyzed by Kolesov and Papina, 1983, Original value = -117.3 ± 2.0 kcal/mol
Quantity Value Units Method Reference Comment
Δcgas-291.5 ± 2.0kcal/molCcbKolesov, Shtekher, et al., 1968 

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry 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 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
Δr14.9 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/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
Δr8.1 ± 2.0kcal/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-83.33kcal/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-61.77kcal/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
Δr12.2 ± 0.2kcal/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-12.kcal/molEqkMoore, 1971gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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

Gas Phase Spectrum

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

IR spectrum
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

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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)

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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

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

Mass spectrum
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

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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, 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]


Notes

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