CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	417.20	1.90	kJ mol^-1	webbook
Hfg(0K)		1.90	kJ mol^-1	webbook
Heat Capacity (298.15K)	159.30		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	1.372	0.012	1	5			1976Hellwege(II/7)
rCC	1.428	0.012	5	6			1976Hellwege(II/7)
rCC	1.370	0.015	6	7			1976Hellwege(II/7)
rCC	1.524	0.006	1	2			1976Hellwege(II/7)
rCC	1.432	0.018	1	3			1976Hellwege(II/7)
rCH	1.096	0.009	5	13			1976Hellwege(II/7)
aCCC	115	1.2	1	5	6		1976Hellwege(II/7)
aCCC	122.5	1.2	5	6	7		1976Hellwege(II/7)
aCCC	122.5	0.6	1	3	8		1976Hellwege(II/7)

Bond Type	Count
C-C	2
C:C	12
H-C	8

Atom 1	Atom 2
C1	C2
C1	C3
C1	C5
C2	C4
C2	C9
C3	C4
C3	C8
C4	C12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8
C7	H15
C8	H16
C9	C10
C9	H17
C10	C11
C10	H18
C11	C12
C11	H19
C12	H20

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_g	D_2h	True							D_2h	0	2

	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	C3
C1	C5
C2	C4
C2	C9
C3	C4
C3	C8
C4	C12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8
C7	H15
C8	H16
C9	C10
C9	H17
C10	C11
C10	H18
C11	C12
C11	H19
C12	H20

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.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	C2
C1	C3
C1	C5
C2	C4
C2	C9
C3	C4
C3	C8
C4	C12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8
C7	H15
C8	H16
C9	C10
C9	H17
C10	C11
C10	H18
C11	C12
C11	H19
C12	H20

Experimental data for C12H8 (biphenylene)

Experimental data for C₁₂H₈ (biphenylene)

Atom 1	Atom 2
C1	C2
C1	C3
C1	C5
C2	C4
C2	C9
C3	C4
C3	C8
C4	C12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8
C7	H15
C8	H16
C9	C10
C9	H17
C10	C11
C10	H18
C11	C12
C11	H19
C12	H20