Phenyl trichlorosilane
- Formula: C6H5Cl3Si
- Molecular weight: 211.548
- IUPAC Standard InChIKey: ORVMIVQULIKXCP-UHFFFAOYSA-N
- CAS Registry Number: 98-13-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Trichlorophenylsilane; Silane, trichlorophenyl-; Phenylsilicon trichloride; Silane, phenyltrichloro-; Silicon phenyl trichloride; UN 1804; CP0280
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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 |
---|---|---|---|---|---|
S°liquid | 314.7 | J/mol*K | N/A | Gumbatov and Kostrykov, 1965 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
220.7 | 298.15 | Gumbatov and Kostrykov, 1965 | T = 14 to 289 K. |
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 474. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 233.4 | K | N/A | Gumbatov and Kostryukov, 1965 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
51.1 | 348. | N/A | Sokolov, Karapet'yants, et al., 1970 | Based on data from 333. to 453. K.; AC |
47.9 | 390. | I | Jenkins and Chambers, 1954 | Based on data from 375. to 470. 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 |
---|---|---|---|---|
374.8 to 470.6 | 4.1083 | 1641. | -74. | Jenkins and Chambers, 1954 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.660 | 233.4 | Gumbatov and Kostrykov, 1965 | Smoothed table gives H = 11650 J/mol.; DH |
11.66 | 233.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
49.96 | 233.4 | Gumbatov and Kostrykov, 1965 | Smoothed; DH |
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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.1 | PE | Veszpremi, Harada, et al., 1984 |
9.55 | PE | Veszpremi, Harada, et al., 1984 |
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
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CORNING CORP. |
Source reference | COBLENTZ NO. 06033 |
Date | 1966/03/26 |
Name(s) | trichloro(phenyl)silane |
State | SOLUTION (10% CCl4 FOR 3800-1300, 11% CS2 FOR 1300-650, AND 10% CCl4 FOR 650-250) VS SOLVENT |
Instrument | PERKIN-ELMER 521 (GRATING) |
Instrument parameters | FILTERS AT 3150, 2500, 2000, 1150, 700, 410. GRATING CHANGES: 2000, 630 |
Path length | 0.012 CM, 0.011 CM, AND 0.011 CM |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Boiling point | 201 C |
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
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-4928 |
NIST MS number | 229842 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.
Gumbatov and Kostrykov, 1965
Gumbatov, D.O.; Kostrykov, V.N.,
Thermodynamic studies at low temperatures. The specific heat, entropy, enthalpy, and internal rotation potential of C6H5SiCl3,
Zhur. Fiz. Khim., 1965, 39, 116-122. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Gumbatov and Kostryukov, 1965
Gumbatov, D.O.; Kostryukov, V.N.,
Thermodynamic studies at low temperatures. The specific heat, entropy, enthalpy, and internal rotation potential of C6H5SiCl3,
Zh. Fiz. Khim., 1965, 39, 116-22. [all data]
Sokolov, Karapet'yants, et al., 1970
Sokolov, V.B.; Karapet'yants, M.Kh.; Goncharov, A.K.,
Tr. Mosk. Khim. Tekhnol. Inst., 1970, 67, 37. [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]
Veszpremi, Harada, et al., 1984
Veszpremi, T.; Harada, Y.; Ohno, K.; Mutoh, H., Jr.,
Photoelectron and penning electron spectroscopic investigation of phenylhalosilanes,
J. Organomet. Chem., 1984, 266, 9. [all data]
Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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