Silicon tetrachloride

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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.

Quantity Value Units Method Reference Comment
Δfgas-662.75kJ/molReviewChase, 1998Data last reviewed in December, 1970
Quantity Value Units Method Reference Comment
gas,1 bar330.86J/mol*KReviewChase, 1998Data last reviewed in December, 1970

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 6000.
A 105.5862
B 2.123083
C -0.573518
D 0.048847
E -1.449627
F -699.1757
G 449.8720
H -662.7456
ReferenceChase, 1998
Comment Data last reviewed in December, 1970

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
Tboil330.KN/APCR Inc., 1990BS
Tboil330.28KN/ARugina, Gaspar, et al., 1987Uncertainty assigned by TRC = 0.5 K; TRC
Tboil330.75KN/ASauer and Hadsell, 1948Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tfus204.4KN/AAnonymous, 1955Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tc0.KN/AParker and Robinson, 1927TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.9305.N/AJain and Yadav, 1973Based on data from 298. - 313. K.; AC
30.4288.N/ACapková and Fried, 1964Based on data from 273. - 326. K.; AC
30.2290.IJenkins and Chambers, 1954Based on data from 275. - 330. K.; AC
30.1303.N/AKearby, 1936Based on data from 273. - 333. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
298. - 313.4.828921616.5465.305Jain and Yadav, 1973, 2Coefficents calculated by NIST from author's data.
273.70 - 325.684.003291149.847-43.044Capková and Fried, 1964Coefficents calculated by NIST from author's data.
275.4 - 330.14.097771200.-37.Jenkins and Chambers, 1954 

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
43.3 ± 0.1175. - 204.MGBalk and Dong, 1964AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.72204.7Devyatykh, Guesev, et al., 1985AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 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

Chlorine anion + Silicon tetrachloride = (Chlorine anion • Silicon tetrachloride)

By formula: Cl- + Cl4Si = (Cl- • Cl4Si)

Quantity Value Units Method Reference Comment
Δr105. ± 7.9kJ/molCIDTHao, Kaspar, et al., 2005gas phase
Δr101. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase
Quantity Value Units Method Reference Comment
Δr73.6 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 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 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.8PEPotzinger, Ritter, et al., 1975LLK
11.79 ± 0.01PEBassett and Lloyd, 1971LLK
12.06PEFrost, Herring, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
SiCl+19.20 ± 0.10?EIIhle, Wu, et al., 1978LLK
SiCl2+17.64 ± 0.10?EIIhle, Wu, et al., 1978LLK
SiCl3+12.6 ± 0.1ClEIPotzinger, Ritter, et al., 1975LLK
SiCl3+12.48 ± 0.02ClEISteele, Nichols, et al., 1962RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 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

Chlorine anion + Silicon tetrachloride = (Chlorine anion • Silicon tetrachloride)

By formula: Cl- + Cl4Si = (Cl- • Cl4Si)

Quantity Value Units Method Reference Comment
Δr105. ± 7.9kJ/molCIDTHao, Kaspar, et al., 2005gas phase
Δr101. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase
Quantity Value Units Method Reference Comment
Δr73.6 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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.
NIST MS number 6548

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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: 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

VSVery strong
iaInactive
pPolarized
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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]

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]

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]

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]

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, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References