Silicon tetrachloride
- Formula: Cl4Si
- Molecular weight: 169.898
- IUPAC Standard InChIKey: FDNAPBUWERUEDA-UHFFFAOYSA-N
- CAS Registry Number: 10026-04-7
- 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, tetrachloro-; Silicon chloride (SiCl4); Tetrachlorosilane; Tetrachlorosilicon; SiCl4; Silicon chloride; Silicon(IV) chloride; Chlorid kremicity; Extrema; Silicio(tetracloruro di); Siliciumtetrachlorid; Siliciumtetrachloride; Silicium(tetrachlorure de); Tetrachlorure de silicium; UN 1818; SIC-L(TM)
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Phase change data
Go To: Top, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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 | 330. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 330.28 | K | N/A | Rugina, Gaspar, et al., 1987 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 330.75 | K | N/A | Sauer and Hadsell, 1948 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 204.4 | K | N/A | Anonymous, 1955 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 0. | K | N/A | Parker and Robinson, 1927 | TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.15 | 305. | N/A | Jain and Yadav, 1973 | Based on data from 298. to 313. K.; AC |
7.27 | 288. | N/A | Capková and Fried, 1964 | Based on data from 273. to 326. K.; AC |
7.22 | 290. | I | Jenkins and Chambers, 1954 | Based on data from 275. to 330. K.; AC |
7.19 | 303. | N/A | Kearby, 1936 | Based on data from 273. to 333. 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 | Comment |
---|---|---|---|---|---|
298. to 313. | 4.82321 | 1616.546 | 5.305 | Jain and Yadav, 1973, 2 | Coefficents calculated by NIST from author's data. |
273.70 to 325.68 | 3.99758 | 1149.847 | -43.044 | Capková and Fried, 1964 | Coefficents calculated by NIST from author's data. |
275.4 to 330.1 | 4.09206 | 1200. | -37. | Jenkins and Chambers, 1954 |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.3 ± 0.02 | 175. to 204. | MG | Balk and Dong, 1964 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.85 | 204.7 | Devyatykh, Guesev, et al., 1985 | AC |
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:
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) | 11.79 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.8 | PE | Potzinger, Ritter, et al., 1975 | LLK |
11.79 ± 0.01 | PE | Bassett and Lloyd, 1971 | LLK |
12.06 | PE | Frost, Herring, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
SiCl+ | 19.20 ± 0.10 | ? | EI | Ihle, Wu, et al., 1978 | LLK |
SiCl2+ | 17.64 ± 0.10 | ? | EI | Ihle, Wu, et al., 1978 | LLK |
SiCl3+ | 12.6 ± 0.1 | Cl | EI | Potzinger, Ritter, et al., 1975 | LLK |
SiCl3+ | 12.48 ± 0.02 | Cl | EI | Steele, Nichols, et al., 1962 | RDSH |
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
By formula: Cl- + Cl4Si = (Cl- • Cl4Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.1 ± 1.9 | kcal/mol | CIDT | Hao, Kaspar, et al., 2005 | gas phase |
ΔrH° | 24.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase |
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: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 424 | C | ia | 424 p | liq. | |||
e | 2 | Deg deform | 150 | C | ia | 150 | liq. | |||
f2 | 3 | Deg str | 621 | C | 621 VS | gas | 610 | liq. | ||
f2 | 4 | Deg deform | 221 | C | 221 | liq. | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
ia | Inactive |
p | Polarized |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, 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.
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]
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]
Anonymous, 1955
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 14, No. 1, Ohio State Univ., 1955. [all data]
Parker and Robinson, 1927
Parker, T.W.; Robinson, P.L.,
Critical Temperatures of Boron Trichloride and Silicon Tetrachloride.,
J. Chem. Soc., 1927, 1927, 2977-81. [all data]
Jain and Yadav, 1973
Jain, D.V.S.; Yadav, O.P.,
Indian J. Chem., 1973, 11, 28. [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]
Kearby, 1936
Kearby, K.,
The Vapor Pressure of Silicon Tetrachloride,
J. Am. Chem. Soc., 1936, 58, 2, 374-375, https://doi.org/10.1021/ja01293a503
. [all data]
Jain and Yadav, 1973, 2
Jain, D.V.S.; Yadav, O.P.,
Thermodynamics of n-Alkane Solutions: Part VIII - Vapour Pressures and Excess Free Energies for the SiCl4/n-Hexane System,
Indian J. Chem., 1973, 11, 28-30. [all data]
Balk and Dong, 1964
Balk, P.; Dong, D.,
The Vapor Pressures of Silicon Tetrachloride and Germanium Tetrachloride below Their Melting Points,
J. Phys. Chem., 1964, 68, 4, 960-962, https://doi.org/10.1021/j100786a507
. [all data]
Devyatykh, Guesev, et al., 1985
Devyatykh, G.G.; Guesev, A.V.; Gibin, A.M.; Zhernenkov, N.V.; Zakharov, L.M.; Antipin, M.Yu.; Struchov, Yu.M.T.,
Russ. J. Inorg. Chem., 1985, 30, 780. [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]
Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R.,
Photoelectron spectra of halides. Part I. Tetrafluorides and tetrachlorides of group IVB,
J. Chem. Soc., 1971, (A), 641. [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.,
(p→>d)π Bonding in halosilanes; evidence from photoelectron spectroscopy,
Chem. Phys. Lett., 1971, 10, 347. [all data]
Ihle, Wu, et al., 1978
Ihle, H.R.; Wu, C.H.; Miletic, M.; Zmbov, K.F.,
Mass spectrometric studies of gas species in the systems Si-Cl and Si-Li,
Adv. Mass Spectrom., 1978, 7, 670. [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]
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]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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