Silane, chlorotrimethyl-
- Formula: C3H9ClSi
- Molecular weight: 108.642
- IUPAC Standard InChIKey: IJOOHPMOJXWVHK-UHFFFAOYSA-N
- CAS Registry Number: 75-77-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chlorotrimethylsilane; Trimethylchlorosilane; Trimethylsilyl chloride; (CH3)3SiCl; Monochlorotrimethylsilicon; Silane, trimethylchloro-; Silicane, chlorotrimethyl-; TL 1163; UN 1298; Silylium, trimethyl-, chloride; Monochlorotrimethylsilane; NSC 15750; Trimethylsilane chloride; KA 31; TSL 8031
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Gas phase ion energetics data
Go To: Top, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.65 ± 0.02 | PIPECO | Szepes and Baer, 1984 | T = 298K; LBLHLM |
10.83 ± 0.02 | PIPECO | Szepes and Baer, 1984 | T = 0K; LBLHLM |
10.83 ± 0.02 | PIPECO | Szepes and Baer, 1984, 2 | T = 0K; LBLHLM |
9.9 ± 0.1 | EI | Band, Davidson, et al., 1968 | RDSH |
10.58 ± 0.04 | EI | Hess, Lampe, et al., 1965 | RDSH |
10.71 | PE | Zykov, Khvostenko, et al., 1981 | Vertical value; LLK |
10.84 | PE | Block, Biernbaum, et al., 1977 | Vertical value; LLK |
10.76 | PE | Green, Lappert, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H6SiCl+ | 10.6 ± 0.1 | CH3 | EI | Band, Davidson, et al., 1968 | RDSH |
C2H6SiCl+ | 11.00 ± 0.16 | CH3 | EI | Hess, Lampe, et al., 1965 | RDSH |
C3H9Si+ | 11.6 ± 0.1 | Cl | EI | Potzinger, Ritter, et al., 1975 | LLK |
C3H9Si+ | 10.9 ± 0.1 | Cl | EI | Band, Davidson, et al., Commun. 1967 | RDSH |
C3H9Si+ | 11.5 ± 0.2 | Cl | EI | Connor, Finney, et al., 1966 | RDSH |
C3H9Si+ | 12.40 ± 0.06 | Cl | EI | Hess, Lampe, et al., 1965 | RDSH |
C3H9Si+ | 12.42 ± 0.03 | Cl | EI | Hess, Lampe, et al., 1964 | RDSH |
Ion clustering data
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: 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
+ = C3H9Cl2Si-
By formula: Cl- + C3H9ClSi = C3H9Cl2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.4 | kcal/mol | CIDT | Hao, Kaspar, et al., 2005 | gas phase |
IR Spectrum
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (5% IN CCl4 FOR 3800-1300, 2% IN CS2 FOR 1300-600, AND 5% IN CCl4 FOR 600-210 CM-1); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, 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
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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 | NIST Mass Spectrometry Data Center, 1994 |
NIST MS number | 133318 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 100. | 555. | Kirichenko, Markov, et al., 1975 | Ar; Column length: 1. m |
Packed | SE-30 | 70. | 552. | Kirichenko, Markov, et al., 1975 | Ar; Column length: 1. m |
Packed | Polymethylsiloxane, (PMS-20000) | 50. | 552.4 | Ainshtein and Shulyatieva, 1972 | He, Chromosorb W; Column length: 2. m |
Packed | SE-30 | 40. | 553. | Garzó, Fekete, et al., 1967 | N2, Chromosorb W; Column length: 2. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 560. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 560. | Zenkevich, 2001 | Program: not specified |
Capillary | Methyl Silicone | 560. | Zenkevich, 2001, 2 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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