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
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 | -118.60 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 74.978 | cal/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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. | 1000. to 6000. |
---|---|---|
A | 15.36380 | 24.94130 |
B | 20.39060 | 0.502404 |
C | -17.23090 | -0.102522 |
D | 5.599981 | 0.007155 |
E | -0.180369 | -1.426480 |
F | -124.5510 | -129.7430 |
G | 87.19410 | 99.75810 |
H | -118.6000 | -118.6000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
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 (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.95 | 314. | N/A | Lapidus, Nisel'son, et al., 1967 | Based on data from 303. to 325. K.; AC |
6.50 | 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 (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
275.3 to 304.8 | 4.21038 | 1170. | -27. | Jenkins and Chambers, 1954 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.94 | PE | Nicholson and Rademacher, 1974 | Vertical value; LLK |
11.94 | PE | Frost, Herring, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
SiCl3+ | 11.9 ± 0.1 | H | EI | Potzinger, Ritter, et al., 1975 | LLK |
SiCl3+ | 11.91 ± 0.03 | H | EI | Steele, Nichols, et al., 1962 | RDSH |
De-protonation reactions
Cl3Si- + =
By formula: Cl3Si- + H+ = HCl3Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <361.0 ± 2.4 | kcal/mol | D-EA | Pabst, Margrave, et al., 1977 | gas phase; From SiCl4. G3MP2B3 calculations indicate an EA of ca. 3.0 eV.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | <353.3 ± 2.5 | kcal/mol | H-TS | Pabst, Margrave, et al., 1977 | gas phase; From SiCl4. G3MP2B3 calculations indicate an EA of ca. 3.0 eV.; B |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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]
Nicholson and Rademacher, 1974
Nicholson, D.G.; Rademacher, P.,
Photoelectron spectra and electronic structures of antimony(III) halides,
Acta Chem. Scand. Ser. A:, 1974, 28, 1136. [all data]
Frost, Herring, et al., 1971
Frost, D.C.; Herring, F.G.; Katrib, A.; McLean, R.A.N.; Drake, J.E.; Westwood, N.P.C.,
Photoelectron spectra and bonding in some halosilanes,
Can. J. Chem., 1971, 49, 4033. [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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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