Silane, tetramethyl-
- Formula: C4H12Si
- Molecular weight: 88.2236
- IUPAC Standard InChIKey: CZDYPVPMEAXLPK-UHFFFAOYSA-N
- CAS Registry Number: 75-76-3
- 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: Tetramethylsilane; (CH3)4Si; Silicon, tetramethyl-; Tetramethylsilicane; UN 2749; Si(CH3)4; CT2050; TMS; NSC 5210; T2050
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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -68.499 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1960 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 86.310 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1960 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1500. |
---|---|
A | 9.301401 |
B | 94.97971 |
C | -45.25120 |
D | 8.334850 |
E | -0.064165 |
F | -75.33191 |
G | 70.82500 |
H | -68.50010 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1960 |
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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
C4H11Si- + =
By formula: C4H11Si- + H+ = C4H12Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 388.2 ± 3.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Comparable to fluorobenzene; B |
ΔrH° | 390.9 ± 2.0 | kcal/mol | D-EA | Wetzel and Brauman, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.0 ± 3.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Comparable to fluorobenzene; B |
ΔrG° | 381.7 ± 2.1 | kcal/mol | H-TS | Wetzel and Brauman, 1988 | gas phase; B |
ΔrG° | 390.7 ± 5.0 | kcal/mol | IMRB | DePuy and Damrauer, 1984 | gas phase; B |
By formula: F- + C4H12Si = (F- • C4H12Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
By formula: C3H9Si+ + C4H12Si = (C3H9Si+ • C4H12Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.3 | kcal/mol | PHPMS | Wojtyniak, Li, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.2 | cal/mol*K | PHPMS | Wojtyniak, Li, et al., 1987 | gas phase; M |
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 evaluated as indicated in comments:
L - Sharon G. Lias
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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.80 ± 0.04 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.80 ± 0.03 | PI | Murphy and Beauchamp, 1977 | LLK |
9.6 | PE | Potzinger, Ritter, et al., 1975 | LLK |
9.99 ± 0.03 | EI | MacLean and Sacher, 1974 | LLK |
9.79 ± 0.04 | PE | Jonas, Schweitzer, et al., 1973 | LLK |
9.4 ± 0.1 | PE | Evans, Green, et al., 1972 | LLK |
9.85 ± 0.16 | EI | Lappert, Pedley, et al., 1971 | LLK |
9.74 ± 0.05 | EI | Potzinger and Lampe, 1970 | RDSH |
9.86 ± 0.02 | PI | Distefano, 1970 | RDSH |
9.85 ± 0.16 | EI | Lappert, Simpson, et al., 1969 | RDSH |
9.9 ± 0.1 | EI | Band, Davidson, et al., 1968 | RDSH |
9.98 ± 0.03 | EI | Hess, Lampe, et al., 1965 | RDSH |
10.29 | PE | Khvostenko, Zykov, et al., 1981 | Vertical value; LLK |
10.4 | PE | Roberge, Sandorfy, et al., 1978 | Vertical value; LLK |
10.57 | PE | Starzewski, Richter, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
De-protonation reactions
C4H11Si- + =
By formula: C4H11Si- + H+ = C4H12Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 388.2 ± 3.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Comparable to fluorobenzene; B |
ΔrH° | 390.9 ± 2.0 | kcal/mol | D-EA | Wetzel and Brauman, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.0 ± 3.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Comparable to fluorobenzene; B |
ΔrG° | 381.7 ± 2.1 | kcal/mol | H-TS | Wetzel and Brauman, 1988 | gas phase; B |
ΔrG° | 390.7 ± 5.0 | kcal/mol | IMRB | DePuy and Damrauer, 1984 | gas phase; B |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, 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. |
---|---|
Origin | R.W.CRAWFORD UNIV. OF CALIFORNIA, LIVERMORE, CALIFORNIA, USA |
NIST MS number | 19500 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Source | Bastian, et al., 1980 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 18490 |
Instrument | unknown |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Wetzel and Brauman, 1988
Wetzel, D.M.; Brauman, J.I.,
Quantitative Measure of alpha-Silyl Carbanion Stabilization. The Electron Affinity of (Trimethylsilyl)methyl Radical,
J. Am. Chem. Soc., 1988, 110, 25, 8333, https://doi.org/10.1021/ja00233a008
. [all data]
DePuy and Damrauer, 1984
DePuy, C.H.; Damrauer, R.,
Reactions of organosilane anionic species with nitrous oxide,
Organometallics, 1984, 3, 362. [all data]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Wojtyniak, Li, et al., 1987
Wojtyniak, A.C.M.; Li, K.; Stone, J.A.,
The Formation of (CH3)7Si2+ in (CH3)4Si/CH4 Mixtures and CH3- Exchange Reactions Between (CH3)4Si, (CH3)4Ge and (CH3)4Sn Studied by High Pressure Mass Spectrometry,
Can. J. Chem., 1987, 65, 12, 2849, https://doi.org/10.1139/v87-473
. [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]
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]
MacLean and Sacher, 1974
MacLean, D.I.; Sacher, R.E.,
A study of some spectroscopic properties of Group IVA acetylides,
J. Organomet. Chem., 1974, 74, 197. [all data]
Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A.,
The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]
Evans, Green, et al., 1972
Evans, S.; Green, J.C.; Joachim, P.J.; Orchard, A.F.; Turner, D.W.; Maier, J.P.,
Electronic structures of the Group IVB tetramethyls by helium-(I) photoelectron spectroscopy,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 905. [all data]
Lappert, Pedley, et al., 1971
Lappert, M.F.; Pedley, J.B.; Simpson, J.; Spalding, T.R.,
Bonding studies of compounds of boron and the Group IV elements. VI. Mass spectrometric studies on compounds Me4M and Me3M-M'Me3 (M and M'=C, Si, Ge, Sn, and Pb): thermochemical data,
J. Organomet. Chem., 1971, 29, 195. [all data]
Potzinger and Lampe, 1970
Potzinger, P.; Lampe, F.W.,
Thermochemistry of simple alkylsilanes,
J. Phys. Chem., 1970, 74, 719. [all data]
Distefano, 1970
Distefano, G.,
Photoionization study of tetramethylsilicon,
Inorg. Chem., 1970, 9, 1919. [all data]
Lappert, Simpson, et al., 1969
Lappert, M.F.; Simpson, J.; Spalding, T.R.,
Bonding studies of compounds of the group IV elements: ionisation potentials of the Me3M radicals,
J.Organometal. Chem., 1969, 17, PI. [all data]
Band, Davidson, et al., 1968
Band, S.J.; Davidson, I.M.T.; Lambert, C.A.,
Bond dissociation energies: electron impact studies on some trimethylsilyl compounds,
J. Chem. Soc. A, 1968, 2068. [all data]
Hess, Lampe, et al., 1965
Hess, G.G.; Lampe, F.W.; Sommer, L.H.,
An electron impact study of ionization and dissociation of trimethylsilanes,
J. Am. Chem. Soc., 1965, 87, 5327. [all data]
Khvostenko, Zykov, et al., 1981
Khvostenko, V.I.; Zykov, B.G.; Yuriev, V.P.; Mironov, V.F.; Kovel'zon, G.I.; Panasenko, A.A.; Sheludyakov, V.D.; Gailyunas, I.A.,
Study of d(π)-p(π) interaction in vinyl- and alkylsilicon-containing compounds by photoelectron spectroscopy,
J. Organomet. Chem., 1981, 218, 155. [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]
Starzewski, Richter, et al., 1976
Starzewski, K.-H.A.O.; Richter, W.; Schmidbaur, H.,
Photoelektronenspektren und Struktur von Arsenyliden. P versus As: Ein Beitrag zur Problematik der ylidischen Bindung,
Chem. Ber., 1976, 109, 473. [all data]
deRidder and Dijkstra, 1967
deRidder, J.J.; Dijkstra, G.,
Mass spectra of the tetramethyl and tetraethyl compounds of carbon, silicon, germanium, tin and lead,
Rec. Trav. Chim., 1967, 86, 737. [all data]
Hobrock and Kiser, 1961
Hobrock, B.G.; Kiser, R.W.,
Electron impact spectroscopy of tetramethylsilicon, -tin and -lead,
J. Phys. Chem., 1961, 65, 2186. [all data]
Szepes and Baer, 1984
Szepes, L.; Baer, T.,
Dissociation dynamics of energy selected hexamethyldisilane ions and the heats of formation of (CH3)3Si+ and (CH3)3Si,
J. Am. Chem. Soc., 1984, 106, 273. [all data]
Szepes and Baer, 1984, 2
Szepes, L.; Baer, T.,
(CH3)3SiX tipusu vegyuletek vizsgalata fotoelectron-fotoion koincidenciaval,I. Meghatarozott belso energiaju hexametil-diszilan-ionok disszociaciojanak dinamikaja,
Magy. Kem. Foly., 1984, 90, 104. [all data]
Band, Davidson, et al., Commun. 1967
Band, S.J.; Davidson, I.M.T.; Lambert, C.A.; Stephenson, I.L.,
Bond dissociation energies and heats of formation of trimethylsilyl compounds,
Chem., Commun. 1967, 723. [all data]
Connor, Finney, et al., 1966
Connor, J.A.; Finney, G.; Leigh, G.J.; Haszeldine, R.N.; Robinson, P.J.; Sedgwick, R.D.; Simmons, R.F.,
Bond dissociation energies in organosilicon compounds,
Chem. Commun., 1966, 178. [all data]
Hess, Lampe, et al., 1964
Hess, G.G.; Lampe, F.W.; Sommer, L.H.,
Bond dissociation energies and ion energetics in organosilicon compounds by electron impact,
J. Am. Chem. Soc., 1964, 86, 3174. [all data]
Bastian, et al., 1980
Bastian, E., et al.,
Ber. Bunsen Gesell. Phys. Chem., 1980, 84, 56. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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