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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Gas phase ion energetics data
Go To: Top, 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, 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.
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, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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