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 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 |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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