Selected ATcT [1, 2] enthalpy of formation based on version 1.130 of the Thermochemical Network [3]

This version of ATcT results[4] was generated by additional expansion of version 1.128 [5,6] to include with the calculations provided in reference [4].

Trimethylsilane

Formula: SiH(CH3)3 (g)

CAS RN: 993-07-7

ATcT ID: 993-07-7*0

SMILES: C[SiH](C)C

InChI: InChI=1S/C3H10Si/c1-4(2)3/h4H,1-3H3

InChIKey: PQDJYEQOELDLCP-UHFFFAOYSA-N

Hills Formula: C3H10Si1

2D Image:

Aliases: SiH(CH3)3; Trimethylsilane; 2-Methyl-2-silapropane; Trimethylsilyl hydride; Dow Corning 9-5170; (CH3)3SiH

Relative Molecular Mass: 74.1970 ± 0.0025

Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units
-125.8	-151.9	± 1.5	kJ/mol

3D Image of SiH(CH3)3 (g)

spin ON spin OFF

Top contributors to the provenance of Δ_fH° of SiH(CH3)3 (g)

The 20 contributors listed below account only for 52.9% of the provenance of Δ_fH° of SiH(CH3)3 (g).
A total of 83 contributors would be needed to account for 90% of the provenance.

Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.

Contribution (%)	TN ID	Reaction	Measured Quantity	Reference
6.1	8171.4	Si(CH3)4 (g) → Si (g) + 4 C (g) + 12 H (g)	Δ_rH°(0 K) = 1453.34 ± 1.50 (×1.044) kcal/mol	Ruscic W1RO
5.8	8171.2	Si(CH3)4 (g) → Si (g) + 4 C (g) + 12 H (g)	Δ_rH°(0 K) = 1451.02 ± 1.60 kcal/mol	Ruscic G4
5.0	8171.1	Si(CH3)4 (g) → Si (g) + 4 C (g) + 12 H (g)	Δ_rH°(0 K) = 1451.64 ± 1.72 kcal/mol	Ruscic G3X
3.7	8150.4	SiH(CH3)3 (g) → Si (g) + 3 C (g) + 10 H (g)	Δ_rH°(0 K) = 1165.30 ± 1.50 kcal/mol	Ruscic W1RO
3.2	8150.2	SiH(CH3)3 (g) → Si (g) + 3 C (g) + 10 H (g)	Δ_rH°(0 K) = 1163.11 ± 1.60 kcal/mol	Ruscic G4
3.0	8176.4	Si(CH3)3 (g) → Si (g) + 3 C (g) + 9 H (g)	Δ_rH°(0 K) = 1072.00 ± 1.50 kcal/mol	Ruscic W1RO
2.8	8150.1	SiH(CH3)3 (g) → Si (g) + 3 C (g) + 10 H (g)	Δ_rH°(0 K) = 1163.50 ± 1.72 kcal/mol	Ruscic G3X
2.8	8171.3	Si(CH3)4 (g) → Si (g) + 4 C (g) + 12 H (g)	Δ_rH°(0 K) = 1449.49 ± 2.16 (×1.067) kcal/mol	Ruscic CBS-n
2.6	8176.2	Si(CH3)3 (g) → Si (g) + 3 C (g) + 9 H (g)	Δ_rH°(0 K) = 1070.89 ± 1.60 kcal/mol	Ruscic G4
2.3	8176.1	Si(CH3)3 (g) → Si (g) + 3 C (g) + 9 H (g)	Δ_rH°(0 K) = 1070.39 ± 1.72 kcal/mol	Ruscic G3X
1.8	8010.1	Si (cr,l) + 2 F2 (g) → SiF4 (g)	Δ_rH°(298.15 K) = -385.98 ± 0.19 kcal/mol	Wise 1963, Wise 1963, Wise 1962
1.7	8150.3	SiH(CH3)3 (g) → Si (g) + 3 C (g) + 10 H (g)	Δ_rH°(0 K) = 1162.34 ± 2.16 kcal/mol	Ruscic CBS-n
1.6	8137.4	2 CH3SiH3 (g) → SiH3SiH3 (g) + CH3CH3 (g)	Δ_rH°(0 K) = 10.76 ± 1.2 kcal/mol	Ruscic W1RO
1.5	8148.4	CH3SiH2CH3 (g) → Si (g) + 2 C (g) + 8 H (g)	Δ_rH°(0 K) = 877.68 ± 1.50 kcal/mol	Ruscic W1RO
1.4	8176.3	Si(CH3)3 (g) → Si (g) + 3 C (g) + 9 H (g)	Δ_rH°(0 K) = 1069.04 ± 2.16 kcal/mol	Ruscic CBS-n
1.4	8052.1	SiH3SiH3 (g) → 2 Si (cr,l) + 3 H2 (g)	Δ_rH°(298.15 K) = -19.1 ± 0.6 (×1.576) kcal/mol	Gunn 1961, est unc
1.4	8137.2	2 CH3SiH3 (g) → SiH3SiH3 (g) + CH3CH3 (g)	Δ_rH°(0 K) = 10.76 ± 1.3 kcal/mol	Ruscic G4
1.3	8148.2	CH3SiH2CH3 (g) → Si (g) + 2 C (g) + 8 H (g)	Δ_rH°(0 K) = 875.79 ± 1.60 kcal/mol	Ruscic G4
1.3	7953.2	Si (cr,l) → Si (g)	Δ_rG°(1525 K) = 231.1 ± 2.0 kJ/mol	Batdorf 1959, 3rd Law
1.2	8219.4	(CH3)3SiO (g) → 3 C (g) + 9 H (g) + Si (g) + O (g)	Δ_rH°(0 K) = 1186.70 ± 1.50 kcal/mol	Ruscic W1RO

Top 10 species with enthalpies of formation correlated to the Δ_fH° of SiH(CH3)3 (g)

Please note: The correlation coefficients are obtained by renormalizing the off-diagonal elements of the covariance matrix by the corresponding variances.
The correlation coefficient is a number from -1 to 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.

Correlation Coefficent (%)	Species Name	Formula	Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
97.2	Tetramethylsilane	Si(CH3)4 (g)	-185.9	-216.3	± 2.0	kJ/mol	88.2236 ± 0.0033	75-76-3*0
94.1	Dimethylsilane	CH3SiH2CH3 (g)	-66.7	-88.2	± 1.1	kJ/mol	60.1704 ± 0.0017	1111-74-6*0
91.3	Trimethylsilylium	[Si(CH3)3]+ (g)	655.3	634.7	± 2.0	kJ/mol	73.1885 ± 0.0025	28927-31-3*0
87.7	Bromotrimethylsilane	SiBr(CH3)3 (g)	-259.5	-290.1	± 2.0	kJ/mol	153.0931 ± 0.0027	2857-97-8*0
86.3	Iodotrimethylsilane	SiI(CH3)3 (g)	-189.7	-214.5	± 2.1	kJ/mol	200.0935 ± 0.0025	16029-98-4*0
76.5	Fluorotrimethylsilane	SiF(CH3)3 (g)	-547.2	-570.8	± 2.1	kJ/mol	92.1875 ± 0.0025	420-56-4*0
72.0	Chlorotrimethylsilane	SiCl(CH3)3 (g)	-326.4	-349.5	± 2.3	kJ/mol	108.6418 ± 0.0027	75-77-4*0
69.8	Trimethylsilyl	Si(CH3)3 (g)	47.5	25.5	± 2.0	kJ/mol	73.1891 ± 0.0025	16571-41-8*0
67.2	Trimethylsilanide	[Si(CH3)3]- (g)	-42.0	-65.4	± 2.2	kJ/mol	73.1896 ± 0.0025	54711-92-1*0
61.8	Methylsilane	CH3SiH3 (g)	-9.73	-25.91	± 0.92	kJ/mol	46.14384 ± 0.00095	992-94-9*0

Most Influential reactions involving SiH(CH3)3 (g)

Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.

Influence Coefficient	TN ID	Reaction	Measured Quantity	Reference
0.985	8151.1	SiH(CH3)3 (g) + CH3SiH3 (g) → 2 CH3SiH2CH3 (g)	Δ_rG°(398 K) = -1.38 ± 0.10 kJ/mol	Doncaster 1986, 3rd Law
0.893	8172.1	Si(CH3)4 (g) + CH3SiH2CH3 (g) → 2 SiH(CH3)3 (g)	Δ_rG°(398 K) = -2.87 ± 0.32 kJ/mol	Doncaster 1986, 3rd Law
0.219	8190.5	SiH(CH3)3 (g) + [CH3O]- (g) → [Si(CH3)3]- (g) + CH3OH (g)	Δ_rH°(0 K) = 4.26 ± 0.8 kcal/mol	Ruscic W1RO
0.166	8189.4	SiH(CH3)3 (g) → [Si(CH3)3]- (g) + H+ (g)	Δ_rH°(0 K) = 386.17 ± 0.90 (×1.022) kcal/mol	Ruscic W1RO
0.160	8224.4	(CH3)3SiO (g) + SiH4 (g) → SiH3O (g) + SiH(CH3)3 (g)	Δ_rH°(0 K) = 6.11 ± 0.85 kcal/mol	Ruscic W1RO
0.151	8218.4	(CH3)3SiOH (g) + SiH4 (g) → SiH3OH (g) + SiH(CH3)3 (g)	Δ_rH°(0 K) = 5.81 ± 0.90 kcal/mol	Ruscic W1RO
0.143	8224.2	(CH3)3SiO (g) + SiH4 (g) → SiH3O (g) + SiH(CH3)3 (g)	Δ_rH°(0 K) = 7.57 ± 0.90 kcal/mol	Ruscic G4
0.143	8224.1	(CH3)3SiO (g) + SiH4 (g) → SiH3O (g) + SiH(CH3)3 (g)	Δ_rH°(0 K) = 7.06 ± 0.90 kcal/mol	Ruscic G3X
0.140	8190.3	SiH(CH3)3 (g) + [CH3O]- (g) → [Si(CH3)3]- (g) + CH3OH (g)	Δ_rH°(0 K) = 3.31 ± 1.0 kcal/mol	Ruscic G4
0.138	8182.4	SiH(CH3)3 (g) + SiH3 (g) → Si(CH3)3 (g) + SiH4 (g)	Δ_rH°(0 K) = 2.72 ± 0.9 kcal/mol	Ruscic W1RO
0.125	8165.4	SiCl(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3Cl (g)	Δ_rH°(0 K) = 7.07 ± 0.85 kcal/mol	Ruscic W1RO
0.122	8218.2	(CH3)3SiOH (g) + SiH4 (g) → SiH3OH (g) + SiH(CH3)3 (g)	Δ_rH°(0 K) = 6.35 ± 1.00 kcal/mol	Ruscic G4
0.122	8164.4	SiF(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3F (g)	Δ_rH°(0 K) = 7.58 ± 0.85 kcal/mol	Ruscic W1RO
0.116	8224.3	(CH3)3SiO (g) + SiH4 (g) → SiH3O (g) + SiH(CH3)3 (g)	Δ_rH°(0 K) = 6.70 ± 1.00 kcal/mol	Ruscic CBS-n
0.112	8182.2	SiH(CH3)3 (g) + SiH3 (g) → Si(CH3)3 (g) + SiH4 (g)	Δ_rH°(0 K) = 1.83 ± 1.0 kcal/mol	Ruscic G4
0.112	8165.2	SiCl(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3Cl (g)	Δ_rH°(0 K) = 7.70 ± 0.90 kcal/mol	Ruscic G4
0.112	8165.1	SiCl(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3Cl (g)	Δ_rH°(0 K) = 8.14 ± 0.90 kcal/mol	Ruscic G3X
0.109	8164.2	SiF(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3F (g)	Δ_rH°(0 K) = 7.73 ± 0.90 kcal/mol	Ruscic G4
0.109	8164.1	SiF(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3F (g)	Δ_rH°(0 K) = 8.41 ± 0.90 kcal/mol	Ruscic G3X
0.107	8166.1	SiBr(CH3)3 (g) + SiH4 (g) → SiH(CH3)3 (g) + SiH3Br (g)	Δ_rH°(0 K) = 8.36 ± 0.90 kcal/mol	Ruscic G3X

References

1		B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner, Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited. J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y]
2		B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner, Active Thermochemical Tables: Thermochemistry for the 21^st Century. J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078]
3		B. Ruscic and D. H. Bross, Active Thermochemical Tables (ATcT) values based on ver. 1.130 of the Thermochemical Network. Argonne National Laboratory, Lemont, Illinois 2023; available at ATcT.anl.gov [DOI: 10.17038/CSE/1997229]
4		N. Genossar, P. B. Changala, B. Gans, J.-C. Loison, S. Hartweg, M.-A. Martin-Drumel, G. A. Garcia, J. F. Stanton, B. Ruscic, and J. H. Baraban Ring-Opening Dynamics of the Cyclopropyl Radical and Cation: the Transition State Nature of the Cyclopropyl Cation J. Am. Chem. Soc. 144, 18518-18525 (2022) [DOI: 10.1021/jacs.2c07740]
5		B. Ruscic and D. H. Bross Active Thermochemical Tables: The Thermophysical and Thermochemical Properties of Methyl, CH3, and Methylene, CH2, Corrected for Nonrigid Rotor and Anharmonic Oscillator Effects. Mol. Phys. e1969046 (2021) [DOI: 10.1080/00268976.2021.1969046]
6		J. H. Thorpe, J. L. Kilburn, D. Feller, P. B. Changala, D. H. Bross, B. Ruscic, and J. F. Stanton, Elaborated Thermochemical Treatment of HF, CO, N2, and H2O: Insight into HEAT and Its Extensions J. Chem. Phys. 155, 184109 (2021) [DOI: 10.1063/5.0069322]
7		B. Ruscic, Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables. Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605]
8		B. Ruscic and D. H. Bross, Thermochemistry Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2]

Formula

The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.

Uncertainties

The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.000₅ kJ/mol.

Website Functionality Credits

The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.

Acknowledgement

This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.