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Silane, chlorotrimethyl-

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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

Quantity Value Units Method Reference Comment
liquid275.1J/mol*KN/ASamorukov, Kostryukov, et al., 1971 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
187.5298.15Samorukov, Kostryukov, et al., 1971T = 12.38 to 303.05 K. Cp(liq) = 18.19046 + 0.077664T + 309052T-2 cal/mol*K. Value is calculated from equation. Deposited in VINITI, No 2501-71, 18 January 1971.

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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil330.KN/APCR Inc., 1990BS
Tboil330.75KN/ARugina, Gaspar, et al., 1987Uncertainty assigned by TRC = 0.5 K; TRC
Tboil331.KN/AMcBride and Beachell, 1948Uncertainty assigned by TRC = 3. K; TRC
Tboil330.85KN/ASauer and Hadsell, 1948Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus233.KN/ATaylor and Walten, 1944Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Ttriple217.97KN/ASamorukov, Kostryukov, et al., 1971, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc497.8KN/AStepanov and Nozdrev, 1968Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Pc32.00barN/AStepanov and Nozdrev, 1968Uncertainty assigned by TRC = 0.1114 bar; TRC
Quantity Value Units Method Reference Comment
rhoc2.73mol/lN/AStepanov and Nozdrev, 1968Uncertainty assigned by TRC = 0.03 mol/l; ultrasonic velocity measurements; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
30.8289.Capková and Fried, 1964Based on data from 274. - 325. K.; AC
30.2291.Jenkins and Chambers, 1954Based on data from 276. - 329. 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 Comment
274.3 - 326.033.96561123.68-47.171Capková and Fried, 1964Coefficents calculated by NIST from author's data.
275.8 - 328.84.075441191.-38.Jenkins and Chambers, 1954 

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.68218.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
3.75185.1Domalski and Hearing, 1996CAL
44.42218.0

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.695185.1crystaline, IIcrystaline, ISamorukov, Kostryukov, et al., 1971DH
9.682217.97crystaline, IliquidSamorukov, Kostryukov, et al., 1971DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.75185.1crystaline, IIcrystaline, ISamorukov, Kostryukov, et al., 1971DH
44.39217.97crystaline, IliquidSamorukov, Kostryukov, et al., 1971DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: John E. Bartmess

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

Chlorine anion + Silane, chlorotrimethyl- = C3H9Cl2Si-

By formula: Cl- + C3H9ClSi = C3H9Cl2Si-

Quantity Value Units Method Reference Comment
Deltar59.8 ± 5.9kJ/molCIDTHao, Kaspar, et al., 2005gas phase

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.83 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.65 ± 0.02PIPECOSzepes and Baer, 1984T = 298K; LBLHLM
10.83 ± 0.02PIPECOSzepes and Baer, 1984T = 0K; LBLHLM
10.83 ± 0.02PIPECOSzepes and Baer, 1984, 2T = 0K; LBLHLM
9.9 ± 0.1EIBand, Davidson, et al., 1968RDSH
10.58 ± 0.04EIHess, Lampe, et al., 1965RDSH
10.71PEZykov, Khvostenko, et al., 1981Vertical value; LLK
10.84PEBlock, Biernbaum, et al., 1977Vertical value; LLK
10.76PEGreen, Lappert, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H6SiCl+10.6 ± 0.1CH3EIBand, Davidson, et al., 1968RDSH
C2H6SiCl+11.00 ± 0.16CH3EIHess, Lampe, et al., 1965RDSH
C3H9Si+11.6 ± 0.1ClEIPotzinger, Ritter, et al., 1975LLK
C3H9Si+10.9 ± 0.1ClEIBand, Davidson, et al., Commun. 1967RDSH
C3H9Si+11.5 ± 0.2ClEIConnor, Finney, et al., 1966RDSH
C3H9Si+12.40 ± 0.06ClEIHess, Lampe, et al., 1965RDSH
C3H9Si+12.42 ± 0.03ClEIHess, Lampe, et al., 1964RDSH

Ion clustering 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Chlorine anion + Silane, chlorotrimethyl- = C3H9Cl2Si-

By formula: Cl- + C3H9ClSi = C3H9Cl2Si-

Quantity Value Units Method Reference Comment
Deltar59.8 ± 5.9kJ/molCIDTHao, Kaspar, et al., 2005gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


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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Mass 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 NIST Mass Spectrometry Data Center, 1994
NIST MS number 133318

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Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSE-30100.555.Kirichenko, Markov, et al., 1975Ar; Column length: 1. m
PackedSE-3070.552.Kirichenko, Markov, et al., 1975Ar; Column length: 1. m
PackedPolymethylsiloxane, (PMS-20000)50.552.4Ainshtein and Shulyatieva, 1972He, Chromosorb W; Column length: 2. m
PackedSE-3040.553.Garzó, Fekete, et al., 1967N2, Chromosorb W; Column length: 2. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101560.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes560.Zenkevich, 2001Program: not specified
CapillaryMethyl Silicone560.Zenkevich, 2001, 2Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Samorukov, Kostryukov, et al., 1971
Samorukov, O.P.; Kostryukov, V.N.; Samorukova, N.Kh., Thermodynamics of chlorosilanes with organic substituents. Low-temperature heat capacity, temperatures, and heats of phase transformation and thermodynamics functions of the condensed phase of chlorotrimethylsilane, Russ. J. Phys. Chem., 1971, 45, 562-563. [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]

McBride and Beachell, 1948
McBride, J.J.; Beachell, H.C., The peroxide-catalyzed chlorination of trimethylchlorosilane and t-butyl chloride, J. Am. Chem. Soc., 1948, 70, 2532. [all data]

Sauer and Hadsell, 1948
Sauer, R.O.; Hadsell, E.M., Azeotropes of Trimethylchlorosilane and Silicon Tetrachloride, J. Am. Chem. Soc., 1948, 70, 4258-9. [all data]

Taylor and Walten, 1944
Taylor, A.G.; Walten, B.V.D.G., Trimethyl silane and trimethyl silicon chloride, J. Am. Chem. Soc., 1944, 66, 842-843. [all data]

Samorukov, Kostryukov, et al., 1971, 2
Samorukov, O.P.; Kostryukov, V.N.; Samorukova, N.K., Thermodynamics of chlorosilanes with organic substituents. low-temperature heat capacity temperatures, and heats of phase transformation and thermodynamics functions of the condensed phases of tr, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 562-3. [all data]

Stepanov and Nozdrev, 1968
Stepanov, N.G.; Nozdrev, V.F., Physical Properties of Certain Organic Derivatives of Chlorosilane in the Critical Region, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1300-2. [all data]

Capková and Fried, 1964
Capková, A.; Fried, V., Gleichgewicht flüssigkeit-dampf im system tetrachlorsilan-trimethylchlorsilan, Collect. Czech. Chem. Commun., 1964, 29, 2, 336-340, https://doi.org/10.1135/cccc19640336 . [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]

Hao, Kaspar, et al., 2005
Hao, C.T.; Kaspar, J.D.; Check, C.E.; Lobring, K.C.; Gilbert, T.M.; Sunderlin, L.S., Effect of substituents on the strength of A-Cl- (A = Si, Ge, and Sn) bonds in hypervalent systems: ACl(5)(-), ACl(4)F(-), and A(CH3)(3)Cl-2(-), J. Phys. Chem. A, 2005, 109, 9, 2026-2034, https://doi.org/10.1021/jp040743x . [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., 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]

Zykov, Khvostenko, et al., 1981
Zykov, B.G.; Khvostenko, V.I.; Voronkov, M.G.; Yur'ev, V.P.; Lomakin, G.S.; Suslova, E.N., Photoelectron spectra of Si-substituted chloromethylsilanes, Dokl. Akad. Nauk SSSR, 1981, 258, 135. [all data]

Block, Biernbaum, et al., 1977
Block, T.F.; Biernbaum, M.; West, R., Cyclic polysilanes XII. Photoelectron spectra and bonding in 1,2,3,4-tetra-t-butyltetramethylcyclotetrasilane and related t-butylsilicon compounds, J. Organomet. Chem., 1977, 131, 199. [all data]

Green, Lappert, et al., 1971
Green, M.C.; Lappert, M.F.; Pedley, J.B.; Schmidt, W.; Wilkins, B.T., Photoelectron spectra energy level trends in MenSiCl4-n and related series, J. Organomet. Chem., 1971, 31, 55. [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]

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]

Kirichenko, Markov, et al., 1975
Kirichenko, É.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 1975, 30, 6, 1038-1040. [all data]

Ainshtein and Shulyatieva, 1972
Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 1972, 27, 816-821. [all data]

Garzó, Fekete, et al., 1967
Garzó, G.; Fekete, J.; Blazsó, M., Determination of the gas chromatographic retention indices of various organometallic compounds, Acta Chim. Acad. Sci. Hung., 1967, 51, 4, 359-369. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, 2001
Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Hydroxy Compounds for GC Analysis, Marcel Dekker, Inc., New York - Basel, 2001, 237. [all data]

Zenkevich, 2001, 2
Zenkevich, I.G., Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds, Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References