CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-24.20	4.00	kJ mol^-1	2002Man:123
Hfg(0K)	-23.63	4.00	kJ mol^-1	2002Man:123
Entropy (298.15K)	343.42		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	19.91		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	94.92		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	A_g	1571		Shim
2	A_g	447		Shim
3	A_g	237		Shim
4	A_u	110		Shim
5	B_1u	777		Shim
6	B_1u	310		Shim
7	B_2g	512		Shim
8	B_2u	908		Shim
9	B_2u	176		Shim
10	B_3g	1000		Shim
11	B_3g	347		Shim
12	B_3u	288		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.354		1	2			1976Hellwege(II/7)
rCCl	1.718		1	3			1976Hellwege(II/7)
aClCCl	115.7		3	1	4		1976Hellwege(II/7)
aCCCl	122.15		1	2	5		1976Hellwege(II/7)	by symmetry

Bond Type	Count
C=C	1
C-Cl	4

Atom 1	Atom 2
C1	C2
C1	Cl3
C1	Cl4
C2	Cl5
C2	Cl6

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	¹A_g	D_2h	True				0.000	NSRDS-NBS10		D_2h	0	2

squib	reference	DOI
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
2002Man:123	JA Manion "Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons" J. Phys. Chem. Ref. Data 31(1), 123-172, 2002	10.1063/1.1420703
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 C2Cl4 (Tetrachloroethylene)

Experimental data for C₂Cl₄ (Tetrachloroethylene)