Silane, trifluoromethyl-
- Formula: CH3F3Si
- Molecular weight: 100.1152
- IUPAC Standard InChIKey: BHOCBLDBJFCBQS-UHFFFAOYSA-N
- CAS Registry Number: 373-74-0
- 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: Methyltrifluorosilane; Silicon carbide fluoride hydride (sicf3H3); Trifluoromethylsilane; CH3SiF3; SiCH3F3
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Phase change data
Go To: Top, Gas phase ion energetics data, 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: Robert L. Brown and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 243. | K | N/A | PCR Inc., 1990 |
Gas phase ion energetics data
Go To: Top, Phase change data, 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.48 ± 0.04 | PI | Murphy and Beauchamp, 1977 | LLK |
13.2 | PE | Roberge, Sandorfy, et al., 1978 | Vertical value; LLK |
13.24 ± 0.02 | PE | Cradock, Ebsworth, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
F3Si+ | 13.33 ± 0.05 | CH3 | PI | Murphy and Beauchamp, 1977 | LLK |
De-protonation reactions
CH2F3Si- + =
By formula: CH2F3Si- + H+ = CH3F3Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 368.5 ± 3.9 | kcal/mol | G+TS | Allison and McMahon, 1990 | gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B |
ΔrH° | 371.7 ± 4.6 | kcal/mol | G+TS | Campanaro, Marvin, et al., 1988 | gas phase; Between HF and acetone; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.5 ± 3.8 | kcal/mol | IMRB | Allison and McMahon, 1990 | gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B |
ΔrG° | 363.7 ± 4.5 | kcal/mol | IMRB | Campanaro, Marvin, et al., 1988 | gas phase; Between HF and acetone; B |
References
Go To: Top, Phase change data, 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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L.,
Photoionization mass spectrometry of the fluoromethylsilanes (CH3)n F4-nSi (n = 1-4),
J. Am. Chem. Soc., 1977, 99, 2085. [all data]
Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P.,
The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives,
J. Chem. Phys., 1978, 69, 5105. [all data]
Cradock, Ebsworth, et al., 1973
Cradock, S.; Ebsworth, E.A.V.; Whiteford, R.A.,
Photoelectron spectra of some simple fluorosilanes,
J. Chem. Soc. Dalton Trans., 1973, 22, 2401. [all data]
Allison and McMahon, 1990
Allison, C.E.; McMahon, T.B.,
How Strong is the Si=C Bond in Fluoro- and Methyl Substituted Silaethylenes? An Experimental Determination of Pi Bond Strengths,
J. Am. Chem. Soc., 1990, 112, 5, 1672, https://doi.org/10.1021/ja00161a002
. [all data]
Campanaro, Marvin, et al., 1988
Campanaro, A.; Marvin, C.H.; Morehouse, S.P.; McMahon, T.B.,
A Gas-phase Anionic Analog of the Wittig Reaction. An Ion Cyclotron Resonance Study of the Gas Phase Ion Chemistry of Silyl Carbanions.,
Org. Mass Spectrom., 1988, 23, 9, 663, https://doi.org/10.1002/oms.1210230907
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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