Ethane, 1,1,1-trifluoro-
- Formula: C2H3F3
- Molecular weight: 84.0404
- IUPAC Standard InChIKey: UJPMYEOUBPIPHQ-UHFFFAOYSA-N
- CAS Registry Number: 420-46-2
- 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: Methylfluoroform; 1,1,1-Trifluoroethane; CH3CF3; Freon 143a; FC 143a; Fluorocarbon FC143a; R 143a; 1,1,1-Trifluoroform
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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 | -748.7 ± 3.2 | kJ/mol | Eqk | Wu and Rodgers, 1974 | Reanalyzed by Kolesov and Papina, 1983, Original value = -746. ± 2. kJ/mol; Heat of formation Unpublished results by B.J. Zwolinski |
ΔfH°gas | -749. ± 2. | kJ/mol | Ccb | Kolesov, Martynov, et al., 1965 | Corrected for CODATA value of ΔfH; Authors hf298_gas[kcal/mol]=-174.1±0.4 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1008. ± 2. | kJ/mol | Ccb | Kolesov, Martynov, et al., 1965 | Corrected 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
By formula: C2H3F3 + I2 = HI + C2H2F3I
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -64. ± 2. | kJ/mol | Eqk | Wu and Rodgers, 1974 | gas phase; Heat of formation Unpublished results by B.J. Zwolinski |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 ± 0.1 | EI | Simmie and Tschuikow-Roux, 1971 | LLK |
13.8 | PE | Sauvageau, Doucet, et al., 1974 | Vertical value; LLK |
12.9 ± 0.1 | SI | Gol'denfel'd, Korostyshevskii, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF3+ | 13.9 | CH3 | PI | Loguinov, Takhistov, et al., 1981 | LLK |
CF3+ | 13.9 ± 0.1 | CH3 | EI | Simmie and Tschuikow-Roux, 1971 | LLK |
CF3+ | 13.90 ± 0.03 | CH3 | EI | Steele and Stone, 1962 | RDSH |
CH2+ | 16.2 ± 0.3 | ? | EI | Steele and Stone, 1962 | RDSH |
CH2F+ | 15.6 ± 0.2 | ? | EI | Steele and Stone, 1962 | RDSH |
CH3+ | 15.0 | CF3 | PI | Loguinov, Takhistov, et al., 1981 | LLK |
CH3+ | 15.0 ± 0.1 | ? | EI | Steele and Stone, 1962 | RDSH |
C2H2F+ | 15.8 ± 0.2 | ? | EI | Steele and Stone, 1962 | RDSH |
C2H2F2+ | 11.2 ± 0.1 | HF | EI | Steele and Stone, 1962 | RDSH |
C2H3F2+ | 14.9 | F | PI | Loguinov, Takhistov, et al., 1981 | LLK |
C2H3F2+ | 15.1 ± 0.1 | F | EI | Simmie and Tschuikow-Roux, 1971 | LLK |
C2H3F2+ | 14.9 ± 0.2 | F | EI | Steele and Stone, 1962 | RDSH |
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 |
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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 268. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
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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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- Symbols used in this document:
AE Appearance energy ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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