CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	342.60	5.90	kJ mol^-1	webbook	low quality
Hfg(0K)		5.90	kJ mol^-1	webbook	low quality
Entropy (298.15K)	233.40	1.50	J K^-1 mol^-1	webbook	estimate

Bond Type	Count
C:C	21
H-C	12

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C2	C5
C2	C6
C3	C7
C3	H19
C4	C8
C4	H20
C5	C9
C5	H21
C6	C10
C6	H22
C7	C9
C7	C11
C8	C10
C8	C12
C9	C13
C10	C14
C11	C15
C11	H23
C12	C16
C12	H24
C13	C17
C13	H25
C14	C18
C14	H26
C15	C17
C15	H27
C16	C18
C16	H28
C17	H29
C18	H30

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

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	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	C4
C2	C5
C2	C6
C3	C7
C3	H19
C4	C8
C4	H20
C5	C9
C5	H21
C6	C10
C6	H22
C7	C9
C7	C11
C8	C10
C8	C12
C9	C13
C10	C14
C11	C15
C11	H23
C12	C16
C12	H24
C13	C17
C13	H25
C14	C18
C14	H26
C15	C17
C15	H27
C16	C18
C16	H28
C17	H29
C18	H30

squib	reference	DOI
1990Mil:8533	KJ Miller "Additivity Methods in Molecular Polarizability" J. Am. Chem. Soc. 1990, 112, 8533-8542	10.1021/ja00179a044
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	C4
C2	C5
C2	C6
C3	C7
C3	H19
C4	C8
C4	H20
C5	C9
C5	H21
C6	C10
C6	H22
C7	C9
C7	C11
C8	C10
C8	C12
C9	C13
C10	C14
C11	C15
C11	H23
C12	C16
C12	H24
C13	C17
C13	H25
C14	C18
C14	H26
C15	C17
C15	H27
C16	C18
C16	H28
C17	H29
C18	H30

Experimental data for C18H12 (Tetracene)

Experimental data for C₁₈H₁₂ (Tetracene)

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C2	C5
C2	C6
C3	C7
C3	H19
C4	C8
C4	H20
C5	C9
C5	H21
C6	C10
C6	H22
C7	C9
C7	C11
C8	C10
C8	C12
C9	C13
C10	C14
C11	C15
C11	H23
C12	C16
C12	H24
C13	C17
C13	H25
C14	C18
C14	H26
C15	C17
C15	H27
C16	C18
C16	H28
C17	H29
C18	H30