CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	38.91	3.35	kJ mol^-1	webbook
Hfg(0K)		3.35	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)	100.50		J K^-1 mol^-1	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.530		3	6			1987Kuchitsu(II/15)
rCC	1.513		12	15			1987Kuchitsu(II/15)
rCC	1.513		13	15			1987Kuchitsu(II/15)
rCH	1.092		3	4			1987Kuchitsu(II/15)	average
rCH	1.082		15	16			1987Kuchitsu(II/15)
aCCC	107.9		6	3	9		1987Kuchitsu(II/15)
aCCC	100.8		3	9	15		1987Kuchitsu(II/15)
aCCC	108.1		6	13	15		1987Kuchitsu(II/15)
aHCH	109.3		7	6	8		1987Kuchitsu(II/15)
aHCH	116		1	12	2		1987Kuchitsu(II/15)
dCCCC	142		3	9	15	13	1987Kuchitsu(II/15)
dCCCC	117		6	9	15	12	1987Kuchitsu(II/15)

Bond Type	Count
H-C	10
C-C	7

Atom 1	Atom 2
C1	C3
C1	C4
C1	H9
C1	H10
C2	C5
C2	C6
C2	H7
C2	H8
C3	C5
C3	H11
C3	H14
C4	C6
C4	H12
C4	H13
C5	C6
C5	H15
C6	H16

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	0.093		0.168	0.192	NISThydrocarbon		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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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C3
C1	C4
C1	H9
C1	H10
C2	C5
C2	C6
C2	H7
C2	H8
C3	C5
C3	H11
C3	H14
C4	C6
C4	H12
C4	H13
C5	C6
C5	H15
C6	H16

squib	reference	DOI
1987Kuchitsu(II/15)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
NISThydrocarbon	NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)	10.18434/T4PC70
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	C3
C1	C4
C1	H9
C1	H10
C2	C5
C2	C6
C2	H7
C2	H8
C3	C5
C3	H11
C3	H14
C4	C6
C4	H12
C4	H13
C5	C6
C5	H15
C6	H16

Experimental data for C6H10 (Bicyclo[3.1.0]hexane)

Experimental data for C₆H₁₀ (Bicyclo[3.1.0]hexane)

Atom 1	Atom 2
C1	C3
C1	C4
C1	H9
C1	H10
C2	C5
C2	C6
C2	H7
C2	H8
C3	C5
C3	H11
C3	H14
C4	C6
C4	H12
C4	H13
C5	C6
C5	H15
C6	H16