CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-4.32	0.98	kJ mol^-1	webbook
Hfg(0K)		0.98	kJ mol^-1	webbook
Entropy (298.15K)	310.45		J K^-1 mol^-1	webbook
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	101.50	3.00	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	1.340	0.020	1	2			1976Hellwege(II/7)
rCC	1.510	0.020	2	3			1976Hellwege(II/7)
rCC	1.530	0.020	4	6			1976Hellwege(II/7)
rCC	1.530	0.020	5	6			1976Hellwege(II/7)
rCH	1.090	0.030	2	8			1976Hellwege(II/7)
rCH	1.100	0.030	3	9			1976Hellwege(II/7)
aCCC	123.3	1.5	1	2	3		1976Hellwege(II/7)
aCCC	111.6	2	1	4	6		1976Hellwege(II/7)
aCCC	110.3	2	4	6	5		1976Hellwege(II/7)
aHCC	119.5	4	1	2	8		1976Hellwege(II/7)
aHCC	109.9	4	3	5	15		1976Hellwege(II/7)
aHCH	105.5	15	9	3	11		1976Hellwege(II/7)
aHCH	106.9	15	13	5	15		1976Hellwege(II/7)

Bond Type	Count
C=C	1
C-C	5
H-C	10

Atom 1	Atom 2
C1	C2
C1	C4
C1	H7
C2	C3
C2	H8
C3	C5
C3	H9
C3	H11
C4	C6
C4	H10
C4	H12
C5	C6
C5	H13
C5	H15
C6	H14
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	C₂	True			0.331	0.331	NISThydrocarbon		C₂	1	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	C2
C1	C4
C1	H7
C2	C3
C2	H8
C3	C5
C3	H9
C3	H11
C4	C6
C4	H10
C4	H12
C5	C6
C5	H13
C5	H15
C6	H14
C6	H16

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

Experimental data for C6H10 (cyclohexene)

Experimental data for C₆H₁₀ (cyclohexene)

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