CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-155.90	4.30	kJ mol^-1	webbook
Hfg(0K)		4.30	kJ mol^-1	webbook

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'	3034		1981Hen/Moh:385-394
7	A'	404		1966All/Bri:824-832
8	A'	328
9	A'	278
10	A'	225
11	A'	175
15	A"	328
16	A"	238
17	A"	165
18	A"	85

Bond Type	Count
C-C	1
H-C	1
C-Cl	5

Atom 1	Atom 2
C1	C2
C1	H3
C1	Cl4
C1	Cl5
C2	Cl6
C2	Cl7
C2	Cl8

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^'	C_s	True				0.920	NSRDS-NBS10	DT	C_s	2	3

	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
1966All/Bri:824-832	G Allen, PN Brier, G Lane "Spectroscopic Study of Internal Rotation in Chloroethanes" Trans. Faraday Soc. 63, 824-832, 1967	10.1039/TF9676300824
1981Hen/Moh:385-394	BR Henry, MA Mohamadi "Overtone Spectra as a Probe of Molecular Conformations: Local Mode Description of the C-H Overtone Spectra of the Haloethanes" Chem. Phys. 55 (1981) 385-394	10.1016/0301-0104(81)80273-X
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CCl3CHCl2 (pentachloroethane)

Experimental data for CCl₃CHCl₂ (pentachloroethane)