Silane, trichloromethyl-
- Formula: CH3Cl3Si
- Molecular weight: 149.479
- IUPAC Standard InChIKey: JLUFWMXJHAVVNN-UHFFFAOYSA-N
- CAS Registry Number: 75-79-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Methyltrichlorosilane; Monomethyltrichlorosilane; Trichloromethylsilane; Trichloromethylsilicon; CH3SiCl3; Methyl-trichlorsilan; Methylsilicochloroform; Silane, methyltrichloro-; Trichlor-methylsilan; UN 1250; SiCH3Cl3; Methylsilyl trichloride; NSC 77069; LS 40
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | -528.86 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1960 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 351.09 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1500. |
---|---|
A | 82.82354 |
B | 116.7951 |
C | -61.39225 |
D | 12.61635 |
E | -0.904497 |
F | -561.2794 |
G | 414.0269 |
H | -528.8576 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1960 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | 339.5 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 339.23 | K | N/A | Rugina, Gaspar, et al., 1987 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 197.37 | K | N/A | Samorukov and Kostryukov, 1971 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 517. | K | N/A | Sokolova, Prokof'eva, et al., 1973 | Uncertainty assigned by TRC = 5. K; From Abstract of deposited paper; TRC |
Tc | 517.8 | K | N/A | Stepanov, 1972 | Uncertainty assigned by TRC = 0.3 K; ~; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32.80 | bar | N/A | Sokolova, Prokof'eva, et al., 1973 | Uncertainty assigned by TRC = 0.32 bar; TRC |
Pc | 35.30 | bar | N/A | Stepanov, 1972 | Uncertainty assigned by TRC = 0.1114 bar; ~; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.88 | mol/l | N/A | Sokolova, Prokof'eva, et al., 1973 | Uncertainty assigned by TRC = 0.29 mol/l; TRC |
ρc | 2.94 | mol/l | N/A | Stepanov, 1972 | Uncertainty assigned by TRC = 0.03 mol/l; ~; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
30.7 | 343. | N/A | Golubkov, Lapidus, et al., 1967 | Based on data from 328. to 358. K.; AC |
31.2 | 302. | I | Jenkins and Chambers, 1954 | Based on data from 287. to 337. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
286.9 to 337.5 | 3.99703 | 1167. | -47. | Jenkins and Chambers, 1954 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.945 | 197.37 | Samorukov and Kostryukov, 1971, 2 | DH |
8.95 | 197.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.31 | 197.37 | Samorukov and Kostryukov, 1971, 2 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
11.36 ± 0.03 | EI | Steele, Nichols, et al., 1962 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 15.0 ± 0.2 | ? | EI | Steele, Nichols, et al., 1962 | |
SiCl3+ | 11.90 ± 0.08 | CH3 | EI | Steele, Nichols, et al., 1962 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-3861 |
NIST MS number | 230819 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Rugina, Gaspar, et al., 1987
Rugina, T.; Gaspar, M.; Sacarescu, L.,
Liquid-vapor equilibrium for a binary system of dichlorodimethyl-silane with trichloromethylsilane, chloromethylsilane and silicontetrachloride.,
Rev. Chim. (Bucharest), 1987, 38, 680. [all data]
Samorukov and Kostryukov, 1971
Samorukov, O.P.; Kostryukov, V.N.,
Low temp. heat capacities melting points, heats of fusion, and thermodyna- mic functions of the condensed phases of trichloromethylsilane and dichloromethylsilane dichlorodimethylsilane,
Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 747-8. [all data]
Sokolova, Prokof'eva, et al., 1973
Sokolova, T.D.; Prokof'eva, N.K.; Nisel'son, L.A.,
Certain physicochemical properties of trichloromethylsilane,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 154. [all data]
Stepanov, 1972
Stepanov, N.G.,
Some physical properties of methyltrichlorosilane and diethyldichlorosilane on the saturation line and near the critical region,
Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 464. [all data]
Golubkov, Lapidus, et al., 1967
Golubkov, Y.V.; Lapidus, I.I.; Nisel'son, L.A.,
Russ. J. Phys. Chem., 1967, 41, 8, 1122. [all data]
Jenkins and Chambers, 1954
Jenkins, Arthur C.; Chambers, George F.,
Vapor Pressures of Silicon Compounds,
Ind. Eng. Chem., 1954, 46, 11, 2367-2369, https://doi.org/10.1021/ie50539a043
. [all data]
Samorukov and Kostryukov, 1971, 2
Samorukov, O.P.; Kostryukov, V.N.,
Thermodynamics of organic derivatives of chlorosilanes. Low-temperature heat capacities, melting points, heats of fusion, and thermodynamic functions of the condensed phases of trichloromethylsilane and dichloromethylsilane,
Russ. J. Phys. Chem., 1971, 45, 747-748. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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