Trichlorosilane
- Formula: Cl3HSi
- Molecular weight: 135.452
- IUPAC Standard InChIKey: ZDHXKXAHOVTTAH-UHFFFAOYSA-N
- CAS Registry Number: 10025-78-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Silane, trichloro
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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -496.22 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 313.71 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
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 1000. | 1000. to 6000. |
---|---|---|
A | 64.28214 | 104.3544 |
B | 85.31427 | 2.102059 |
C | -72.09409 | -0.428952 |
D | 23.43032 | 0.029935 |
E | -0.754664 | -5.968392 |
F | -521.1214 | -542.8447 |
G | 364.8201 | 417.3879 |
H | -496.2224 | -496.2224 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 304. to 305. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 305.0 | K | N/A | Taylor and Walten, 1944 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.9 | 314. | N/A | Lapidus, Nisel'son, et al., 1967 | Based on data from 303. to 325. K.; AC |
27.2 | 290. | I | Jenkins and Chambers, 1954 | Based on data from 275. to 305. 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 |
---|---|---|---|---|
275.3 to 304.8 | 4.21609 | 1170. | -27. | Jenkins and Chambers, 1954 |
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
Cl3Si- + =
By formula: Cl3Si- + H+ = HCl3Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <1510. ± 10. | kJ/mol | D-EA | Pabst, Margrave, et al., 1977 | gas phase; From SiCl4. G3MP2B3 calculations indicate an EA of ca. 3.0 eV. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | <1478. ± 10. | kJ/mol | H-TS | Pabst, Margrave, et al., 1977 | gas phase; From SiCl4. G3MP2B3 calculations indicate an EA of ca. 3.0 eV. |
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 | Copyright (C) 1987 by the Coblentz Society 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. 05749 |
Date | 1968/06/25 |
Name(s) | trichlorosilane |
State | SOLUTION (5% CCl4 FOR 3800-1300, 4% CS2 FOR 1300-650, AND 5% CCl4 FOR 650-250) MORE THAN 99.5% PURE |
Instrument | PERKIN-ELMER 521 (GRATING) |
Instrument parameters | FILTERS AT 3150, 2500, 2000, 1150, 700, 410. GRATING CHANGES: 2000, 630 |
Path length | 0.011 CM, 0.010 CM, AND 0.010 CM |
Resolution | 2 |
Boiling point | 31 C |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | SiH str | 2261 | B | 2260.9 S | gas | 2258 p | liq. | ||
a1 | 2 | SiCl3 s-str | 499 | B | 498.6 S | gas | 489 p | liq. | ||
a1 | 3 | SiCl3 s-deform | 254 | B | 253.7 M | gas | 250 p | liq. | ||
e | 4 | SiH bend | 811 | B | 810.8 VS | gas | 799 dp | liq. | ||
e | 5 | SiCl3 d-str | 600 | B | 600.1 VS | gas | 587 dp | liq. | ||
e | 6 | SiCl3 d-deform | 176 | B | 175.5 M | gas | 179 dp | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
p | Polarized |
dp | Depolarized |
B | 1~3 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, 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]
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]
Lapidus, Nisel'son, et al., 1967
Lapidus, I.I.; Nisel'son, L.A.; Karateeva, A.A.,
Russ. J. Phys. Chem., 1967, 41, 2, 241. [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]
Pabst, Margrave, et al., 1977
Pabst, R.E.; Margrave, J.L.; Franklin, J.L.,
Electron impact studies of the tetrachlorides and tetrabromides of silicon and germanium,
Int. J. Mass Spectrom. Ion Phys., 1977, 25, 361. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
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- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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