1,1,1-Trifluoro-2-iodoethane
- Formula: C2H2F3I
- Molecular weight: 209.9370
- IUPAC Standard InChI: InChI=1S/C2H2F3I/c3-2(4,5)1-6/h1H2
- IUPAC Standard InChIKey: RKOUFQLNMRAACI-UHFFFAOYSA-N
- CAS Registry Number: 353-83-3
- 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: 2,2,2-Trifluoroethyl iodide; CF3CH2I; 2-Iodo-1,1,1-trifluoroethane; Trifluoroethyl iodide; 1H,1H-Perfluoroethyl iodide; Ethane, 1,1,1-trifluoro-2-iodo-; 1,1,1-trifluoroiodoethane
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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 | -648.7 ± 3.9 | kJ/mol | Eqk | Wu and Rodgers, 1974 | Reanalyzed by Kolesov and Papina, 1983, Original value = -646. ± 3. kJ/mol |
Phase change 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 328. to 329. | K | N/A | PCR Inc., 1990 | |
| Tboil | 327.7 | K | N/A | Weast and Grasselli, 1989 |
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
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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 | kJ/mol | Eqk | Wu and Rodgers, 1974 | gas phase; Heat of formation Unpublished results by B.J. Zwolinski |
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By formula: C2H2BrF3 + I2 = C2H2F3I + BrI
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28. ± 2. | kJ/mol | Eqk | Buckley, Ford, et al., 1980 | gas phase; GLC;hf298_gas[kcal/mol]=-166.8±1.1; Kolesov and Papina, 1983 |
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 |
|---|---|---|---|
| 9.998 | S | Boschi and Salahub, 1972 | LLK |
| 10.00 ± 0.01 | PI | Watanabe, Nakayama, et al., 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
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. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 133588 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.
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]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Buckley, Ford, et al., 1980
Buckley, G.S.; Ford, W.G.F.; Rodgers, A.S.,
The thermochemistry of the gas phase reaction: CF3CH2Br + I2 = CF3CH2I + IBr. Polarity effects in thermochemistry,
Thermochim. Acta, 1980, 42, 349-355. [all data]
Boschi and Salahub, 1972
Boschi, R.A.; Salahub, D.R.,
The far ultra-violet spectra of some branched chain iodo-alkanes, iodo-cycloalkanes, fluoro-iodoalkanes and iodo-alkenes,
Mol. Phys., 1972, 24, 735. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point 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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