Silane, trichloromethyl-

• Formula: CH₃Cl₃Si
• Molecular weight: 149.479
• IUPAC Standard InChI: InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3 Copy

  
• IUPAC Standard InChIKey: JLUFWMXJHAVVNN-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Condensed 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.

Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Phase change 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:
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

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of fusion

Entropy of fusion

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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

IR 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.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

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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]

Samorukov and Kostryukov, 1971
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]

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, 2
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]

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

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• Symbols used in this document:
  

  AE	Appearance energy
  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
  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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