CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-662.20	0.80	kJ mol^-1	Gurvich
Hfg(0K)	-660.08	0.80	kJ mol^-1	Gurvich
Entropy (298.15K)	331.45		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	19.44		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	90.40		J K^-1 mol^-1	Gurvich

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	424		Shim					sym stretch
2	E	150		Shim					deg. deform
3	T₂	621		Shim					deg. stretch
4	T₂	221		Shim					deg. deform

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiCl	2.019		1	2			1969Rya/Hed:4986	!assumed tetrahedral
aClSiCl	109.4712		2	1	3			symmetry

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	0.0000
Cl2	1.1657	1.1657	1.1657
Cl3	-1.1657	-1.1657	1.1657
Cl4	-1.1657	1.1657	-1.1657
Cl5	1.1657	-1.1657	-1.1657

	Si1	Cl2	Cl3	Cl4	Cl5
Si1		2.0190	2.0190	2.0190	2.0190
Cl2	2.0190		3.2970	3.2970	3.2970
Cl3	2.0190	3.2970		3.2970	3.2970
Cl4	2.0190	3.2970	3.2970		3.2970
Cl5	2.0190	3.2970	3.2970	3.2970

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	Cl3	109.471	Cl2	Si1	Cl4	109.471
Cl2	Si1	Cl5	109.471	Cl3	Si1	Cl4	109.471
Cl3	Si1	Cl5	109.471	Cl4	Si1	Cl5	109.471

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	T_d	True				0.000	NSRDS-NBS10		T_d	0	0

squib	reference	DOI
1969Rya/Hed:4986	Ryan, Hedberg, Effect of Temperature on the Structure of Gaseous Molecules.* II. An Electron-Diffraction Investigation of the Molecular Structures of B2Cl4 and SiCl4. The Potential Function for Internal Rotation in B2Cl4., J. Chem. Phys., Vol. 50, #11, pgs. 4986-4995	10.1063/1.1670995
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for SiCl4 (Silane, tetrachloro-)

Experimental data for SiCl₄ (Silane, tetrachloro-)