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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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:
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)
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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
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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
Go To: Top, 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
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
Go To: Top, 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.
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
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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