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
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes
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 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 65.019 | cal/mol*K | N/A | Harada, Atake, et al., 1977 | |
S°liquid | 66.269 | cal/mol*K | N/A | Aston, Kennedy, et al., 1941 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.373 | 290. | Harada, Atake, et al., 1977 | T = 3 to 300 K. |
39.331 | 177.45 | Shinoda, Enokida, et al., 1973 | T = 2 to 26 K and 106 to 277.5 K. |
47.299 | 290. | Aston, Kennedy, et al., 1941 | T = 11 to 290 K. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 299.7 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 299. | K | N/A | Sommer, Goldberg, et al., 1946 | Uncertainty assigned by TRC = 3. K; ~; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 172. ± 5. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 448.640 | K | N/A | McGlashan and McKinnon, 1977 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 27.84 | atm | N/A | McGlashan and McKinnon, 1977 | Uncertainty assigned by TRC = 0.01 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.362 | l/mol | N/A | McGlashan and McKinnon, 1977 | Uncertainty assigned by TRC = 0.008 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.2 ± 0.1 | kcal/mol | C | Voronkov, Baryshok, et al., 1988 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.7849 | 299.80 | N/A | Aston, Kennedy, et al., 1941 | P = 101.325 kPa; DH |
5.78 ± 0.02 | 299. | C | Bergmann and Haskelberg, 1941 | AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.29 | 299.80 | Aston, Kennedy, et al., 1941 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
208.93 to 293.64 | 3.97132 | 1047.272 | -36.057 | Aston, Kennedy, et al., 1941 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.61 | 174. | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.168 | 165.920 | crystaline, α | liquid | Harada, Atake, et al., 1977 | DH |
1.405 | 171.016 | crystaline, β | liquid | Harada, Atake, et al., 1977 | DH |
1.3960 | 70.983 | crystaline, II | liquid | Shinoda, Enokida, et al., 1973 | Metastable form.; DH |
1.6112 | 174.049 | crystaline, I | liquid | Shinoda, Enokida, et al., 1973 | Stable form.; DH |
1.4268 | 171.04 | crystaline, I | liquid | Aston, Kennedy, et al., 1941 | DH |
1.648 | 174.12 | crystaline, II | liquid | Aston, Kennedy, et al., 1941 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.01 | 165.920 | crystaline, α | liquid | Harada, Atake, et al., 1977 | DH |
8.215 | 171.016 | crystaline, β | liquid | Harada, Atake, et al., 1977 | DH |
8.164 | 70.983 | crystaline, II | liquid | Shinoda, Enokida, et al., 1973 | Metastable; DH |
9.257 | 174.049 | crystaline, I | liquid | Shinoda, Enokida, et al., 1973 | Stable; DH |
8.341 | 171.04 | crystaline, I | liquid | Aston, Kennedy, et al., 1941 | DH |
9.465 | 174.12 | crystaline, II | liquid | Aston, Kennedy, et al., 1941 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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]
Harada, Atake, et al., 1977
Harada, M.; Atake, T.; Chihara, H.,
Thermodynamic properties of polymorphic phases of tetramethylsilane,
J. Chem. Thermodynam., 1977, 9, 523-534. [all data]
Aston, Kennedy, et al., 1941
Aston, J.G.; Kennedy, R.M.; Messerly, G.H.,
The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of silicon tetramethyl,
J. Am. Chem. Soc., 1941, 63, 2343-2348. [all data]
Shinoda, Enokida, et al., 1973
Shinoda, T.; Enokida, H.; Maeda, Y.; Tomita, H.; Mashiko, Y.,
Heat capacity of tetramethylsilane in the range from 2 to 26 K and premelting range,
Bull. Chem. Soc. Japan, 1973, 46, 48-52. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Sommer, Goldberg, et al., 1946
Sommer, L.H.; Goldberg, G.M.; Derfman, E.; Whitmore, F.C.,
Organisilicaon Compounds V. β-Elimination Involving Silicon,
J. Am. Chem. Soc., 1946, 68, 1083. [all data]
McGlashan and McKinnon, 1977
McGlashan, M.L.; McKinnon, I.R.,
The vapor pressure, orthobaric volumes, and critical constants of tetramethylsilane,
J. Chem. Thermodyn., 1977, 9, 1205-12. [all data]
Voronkov, Baryshok, et al., 1988
Voronkov, M.G.; Baryshok, V.P.; Klyuchnikov, V.A.; Danilova, T.F.; Pepekin, V.I.; Korchagina, A.N.; Khudobin, Yu.I.,
Thermochemistry of organosilicon compounds,
Journal of Organometallic Chemistry, 1988, 345, 1-2, 27-38, https://doi.org/10.1016/0022-328X(88)80231-6
. [all data]
Bergmann and Haskelberg, 1941
Bergmann, F.; Haskelberg, L.,
Synthesis of Lipophilic Chemotherapeuticals. V. N 4 -Acyl-sulfanilamides 1a,
J. Am. Chem. Soc., 1941, 63, 8, 2243-2245, https://doi.org/10.1021/ja01853a062
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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