CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-28.87	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

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.339		2	4			1992Kuchitsu(II/21)
rCC	1.508		2	6			1992Kuchitsu(II/21)	next to =
rCC	1.528		6	9			1992Kuchitsu(II/21)	!assumed
rCCl	1.794		9	12			1992Kuchitsu(II/21)
rCH	1.102		1	4			1992Kuchitsu(II/21)
aCCC	123.9		4	2	6		1992Kuchitsu(II/21)
aCCC	112		2	6	9		1992Kuchitsu(II/21)
aCCCl	111.5		6	9	12		1992Kuchitsu(II/21)
aHCC	121.5		1	4	2		1992Kuchitsu(II/21)	towards end
aHCC	121		2	4	3		1992Kuchitsu(II/21)	towards end
aHCC	119		4	2	10		1992Kuchitsu(II/21)	from end
aHCC	109.3		6	9	7		1992Kuchitsu(II/21)
aHCC	110.2		5	6	9		1992Kuchitsu(II/21)
aHCC	111.5		6	2	10		1992Kuchitsu(II/21)
aHCCl	106.5		7	9	12		1992Kuchitsu(II/21)
dCCCC	123.1		4	2	6	9	1992Kuchitsu(II/21)
dCCCCl	180		2	6	9	12	1992Kuchitsu(II/21)	!assumed

Bond Type	Count
H-C	7
C-C	2
C=C	1
C-Cl	1

Atom 1	Atom 2
H1	C4
C2	C4
C2	C6
C2	H10
H3	C4
H5	C6
C6	C9
C6	H11
H7	C9
H8	C9
C9	Cl12

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

Experimental data for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)