Silane, methyl-

Formula: CH₆Si
Molecular weight: 46.1438
IUPAC Standard InChI: InChI=1S/CH6Si/c1-2/h1-2H3
IUPAC Standard InChIKey: UIUXUFNYAYAMOE-UHFFFAOYSA-N
CAS Registry Number: 992-94-9
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: Methylsilane; Silaethane; CH3SiH3
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Other data available:
Data at other public NIST sites:
- Computational Chemistry Comparison and Benchmark Database
- Gas Phase Kinetics Database
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Gas phase ion energetics data

Data compiled as indicated in comments:
B - John E. Bartmess
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
10.7	PE	Potzinger, Ritter, et al., 1975	LLK
11.6	PE	Roberge, Sandorfy, et al., 1978	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	15.1 ± 0.3	?	EI	Steele, Nichols, et al., 1962	RDSH
CH₃Si⁺	12.8	?	EI	Bradshaw, Moyes, et al., 1976	LLK
CH₃Si⁺	14.05 ± 0.05	H₂+H	EI	Potzinger and Lampe, 1970	RDSH
CH₄Si⁺	11.3	?	EI	Bradshaw, Moyes, et al., 1976	LLK
CH₄Si⁺	11.4 ± 0.1	H₂	EI	Potzinger, Ritter, et al., 1975	LLK
CH₄Si⁺	11.45 ± 0.05	H₂	EI	Potzinger and Lampe, 1970	RDSH
CH₅Si⁺	11.8	H	EI	Bradshaw, Moyes, et al., 1976	LLK
CH₅Si⁺	11.8 ± 0.1	H	EI	Potzinger, Ritter, et al., 1975	LLK
CH₅Si⁺	11.80 ± 0.05	H	EI	Potzinger and Lampe, 1970	RDSH
HSi⁺	14.8	?	EI	Bradshaw, Moyes, et al., 1976	LLK
H₂Si⁺	11.7	CH₄	EI	Bradshaw, Moyes, et al., 1976	LLK
H₂Si⁺	11.5 ± 0.1	CH₄	EI	Potzinger, Ritter, et al., 1975	LLK
SiH₂⁺	11.50 ± 0.05	CH₄	EI	Potzinger and Lampe, 1970	RDSH
SiH₂⁺	11.6 ± 0.1	CH₄	EI	Steele, Nichols, et al., 1962	RDSH
H₃Si⁺	12.5	?	EI	Bradshaw, Moyes, et al., 1976	LLK
SiH₃⁺	12.8 ± 0.1	CH₃	EI	Steele, Nichols, et al., 1962	RDSH
Si⁺	12.1	?	EI	Bradshaw, Moyes, et al., 1976	LLK

De-protonation reactions

CH₅Si^- + = Silane, methyl-

By formula: CH₅Si^- + H⁺ = CH₆Si

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1579. ± 8.8	kJ/mol	G+TS	Gal, Decouzon, et al., 2001	gas phase; B
Δ_rH°	1582. ± 13.	kJ/mol	D-EA	Wetzel, Salomon, et al., 1989	gas phase; B
Δ_rH°	1582. ± 8.8	kJ/mol	G+TS	Wetzel, Salomon, et al., 1989	gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale; B
Δ_rH°	1613. ± 17.	kJ/mol	G+TS	Damrauer, Kass, et al., 1988	gas phase; Between furan and methanol.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1544. ± 8.4	kJ/mol	IMRE	Gal, Decouzon, et al., 2001	gas phase; B
Δ_rG°	1546. ± 13.	kJ/mol	H-TS	Wetzel, Salomon, et al., 1989	gas phase; B
Δ_rG°	1546. ± 8.4	kJ/mol	IMRE	Wetzel, Salomon, et al., 1989	gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale; B
Δ_rG°	1577. ± 17.	kJ/mol	IMRB	Damrauer, Kass, et al., 1988	gas phase; Between furan and methanol.; B

CH₅Si^- + = Silane, methyl-

By formula: CH₅Si^- + H⁺ = CH₆Si

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1625. ± 17.	kJ/mol	G+TS	Damrauer, Kass, et al., 1988	gas phase; Slightly less acidic then fluorobenzene; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1590. ± 17.	kJ/mol	IMRB	Damrauer, Kass, et al., 1988	gas phase; Slightly less acidic then fluorobenzene; B

References

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Potzinger, Ritter, et al., 1975
Potzinger, P.; Ritter, A.; Krause, J., Massenspektrometrische Bestimmung von Bindungsenergien in siliciumorganischen Verbindungen, Z. Naturforsch. A:, 1975, 30, 347. [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]

Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A., The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact, J. Am. Chem. Soc., 1962, 84, 4441. [all data]

Bradshaw, Moyes, et al., 1976
Bradshaw, D.I.; Moyes, R.B.; Wells, P.B., Mass spectra of some deuterium-labelled methylsilanes the analysis of mixtures, Can. J. Chem., 1976, 54, 599. [all data]

Potzinger and Lampe, 1970
Potzinger, P.; Lampe, F.W., Ionic reactions in gaseous methylsilane, J. Phys. Chem., 1970, 74, 587. [all data]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I., Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals, J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013 . [all data]

Damrauer, Kass, et al., 1988
Damrauer, R.; Kass, S.R.; DePuy, C.H., Gas-Phase Acidities of Methylsilanes: C-H versus Si-H, Organomet., 1988, 7, 3, 637, https://doi.org/10.1021/om00093a011 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions