CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-148.00	4.00	kJ mol^-1	2002Man:123
Hfg(0K)		4.00	kJ mol^-1	2002Man:123
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.580	0.010	1	2			1974Hui/Mul:23	!assumed
rCCl	1.776	0.001	1	3			1974Hui/Mul:23
aCCCl	106.4	0.9	1	2	6		1974Hui/Mul:23
aCCCl	107.9	1.3	2	1	3		1974Hui/Mul:23
aHCC	101	25	1	2	8		1974Hui/Mul:23
dClCCCl	75	1	3	1	2	6	1974Hui/Mul:23

Bond Type	Count
C-C	1
C-Cl	3
H-C	3

Atom 1	Atom 2
C1	C2
C1	Cl3
C1	H4
C1	H5
C2	Cl6
C2	Cl7
C2	H8

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	C₁	True				1.500	1971Vau:21		C₁	3	5
1	2	¹A^'	C_s	False

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1971Vau:21	WE Vaughan, Digest of literature on dielectrics, v.33, 1969, 21
1974Hui/Mul:23	P Huisman, FC Mijlhoff "An Electron Diffraction Study of the Structure of 1,1,2-Trichloroethane in the gas phase" J. Molecular Structure, 21 (1974) 23-27	10.1016/0022-2860(74)80026-8
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
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH2ClCHCl2 (1,1,2-trichloroethane)

Experimental data for CH₂ClCHCl₂ (1,1,2-trichloroethane)