CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-107.95	4.18	kJ mol^-1	webbook
Hfg(0K)		4.18	kJ mol^-1	webbook
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
rCH	1.095		1	6			1992Kuchitsu(II/21)
rCO	1.442		3	5			1992Kuchitsu(II/21)
rCC	1.475		3	4			1992Kuchitsu(II/21)	ring
rCC	1.523		1	3			1992Kuchitsu(II/21)
rCCl	1.798		1	2			1992Kuchitsu(II/21)
aCCO	114		1	3	5		1992Kuchitsu(II/21)
aCCC	119		1	3	4		1992Kuchitsu(II/21)
aCCCl	108.9		2	1	3		1992Kuchitsu(II/21)
dClCCO	78		2	1	3	5	1992Kuchitsu(II/21)

Bond Type	Count
H-C	5
C-C	2
C-O	2
C-Cl	1

Atom 1	Atom 2
C1	Cl2
C1	C3
C1	H6
C1	H7
C3	C4
C3	O5
C3	H8
C4	O5
C4	H9
C4	H10

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							C₁	3	5

	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
1992Kuchitsu(II/21)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C3H5ClO (Oxirane, (chloromethyl)-)

Experimental data for C₃H₅ClO (Oxirane, (chloromethyl)-)