CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-179.87	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)		J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1
Heat Capacity (298.15K)	111.95	J K^-1 mol^-1	TRC

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCCl	1.803		1	2			1976Hellwege(II/7)
rCC	1.530		1	3			1976Hellwege(II/7)
rCH	1.078		3	6			1976Hellwege(II/7)
aCCC	110.9		3	1	4		1976Hellwege(II/7)
aHCC	110.8		1	3	6		1976Hellwege(II/7)	!assumed
aCCCl	108		2	1	3		1976Hellwege(II/7)	by symmetry

Bond Type	Count
H-C	9
C-C	3
C-Cl	1

Atom 1	Atom 2
C1	Cl2
C1	C3
C1	C4
C1	C5
C3	H6
C3	H9
C3	H10
C4	H7
C4	H11
C4	H12
C5	H8
C5	H13
C5	H14

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	C_3v	True				2.130	NSRDS-NBS10	DR	C_3v	1	1

	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
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.
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
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
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

Experimental data for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)