Ethane, 1,1,1-trifluoro-

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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-748.7 ± 3.2kJ/molEqkWu and Rodgers, 1974Reanalyzed by Kolesov and Papina, 1983, Original value = -746. ± 2. kJ/mol; Heat of formation Unpublished results by B.J. Zwolinski
Δfgas-749. ± 2.kJ/molCcbKolesov, Martynov, et al., 1965Corrected for CODATA value of ΔfH; Authors hf298_gas[kcal/mol]=-174.1±0.4
Quantity Value Units Method Reference Comment
Δcgas-1008. ± 2.kJ/molCcbKolesov, Martynov, et al., 1965Corrected for CODATA value of ΔfH; Authors hf298_gas[kcal/mol]=-174.1±0.4

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 by: 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

Ethane, 1,1,1-trifluoro- + Iodine = Hydrogen iodide + 1,1,1-Trifluoro-2-iodoethane

By formula: C2H3F3 + I2 = HI + C2H2F3I

Quantity Value Units Method Reference Comment
Δr-64. ± 2.kJ/molEqkWu and Rodgers, 1974gas phase; Heat of formation Unpublished results by B.J. Zwolinski

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
13.3 ± 0.1EISimmie and Tschuikow-Roux, 1971LLK
13.8PESauvageau, Doucet, et al., 1974Vertical value; LLK
12.9 ± 0.1SIGol'denfel'd, Korostyshevskii, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+13.9CH3PILoguinov, Takhistov, et al., 1981LLK
CF3+13.9 ± 0.1CH3EISimmie and Tschuikow-Roux, 1971LLK
CF3+13.90 ± 0.03CH3EISteele and Stone, 1962RDSH
CH2+16.2 ± 0.3?EISteele and Stone, 1962RDSH
CH2F+15.6 ± 0.2?EISteele and Stone, 1962RDSH
CH3+15.0CF3PILoguinov, Takhistov, et al., 1981LLK
CH3+15.0 ± 0.1?EISteele and Stone, 1962RDSH
C2H2F+15.8 ± 0.2?EISteele and Stone, 1962RDSH
C2H2F2+11.2 ± 0.1HFEISteele and Stone, 1962RDSH
C2H3F2+14.9FPILoguinov, Takhistov, et al., 1981LLK
C2H3F2+15.1 ± 0.1FEISimmie and Tschuikow-Roux, 1971LLK
C2H3F2+14.9 ± 0.2FEISteele and Stone, 1962RDSH

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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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 19362

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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-101268.Zenkevich, 200525. 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, Reaction thermochemistry data, Gas phase ion energetics data, 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.

Wu and Rodgers, 1974
Wu, E.; Rodgers, A.S., Thermochemistry of gas-phase equilibrium CF3CH3 + I2 = CF3CH2I + HI. The carbon-hydrogen bond dissociation energy in 1,1,1-trifluoroethane and the heat of formation of the 2,2,2-trifluoroethyl radical, J. Phys. Chem., 1974, 78, 2315-2317. [all data]

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

Kolesov, Martynov, et al., 1965
Kolesov, V.P.; Martynov, A.M.; Skuratov, S.M., Standard enthalpy of formation of 1,1,1-trifluoroethane, Russ. J. Phys. Chem. (Engl. Transl.), 1965, 39, 223-225. [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]

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]

Gol'denfel'd, Korostyshevskii, et al., 1973
Gol'denfel'd, I.V.; Korostyshevskii, I.Z.; Mischanchuk, B.G.; Pokrovskii, V.A., Determination of ionization potentials of atoms and molecules using a field mass spectrometer equipped with an energy analyzer, Dokl. Akad. Nauk SSSR, 1973, 213, 626. [all data]

Loguinov, Takhistov, et al., 1981
Loguinov, Y.; Takhistov, V.V.; Vatlina, L.P., Photoionization studies of substituted trimethylamines, Org. Mass Spectrom., 1981, 16, 239. [all data]

Steele and Stone, 1962
Steele, W.C.; Stone, F.G.A., An electron impact study of 1,1,1-trifluoroethane, 1,1,1-trifluoropropane and 3,3,3-trifluoropropene, J. Am. Chem. Soc., 1962, 84, 3450. [all data]

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


Notes

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