CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	263.20	3.70	kJ mol^-1	webbook
Hfg(0K)		3.70	kJ mol^-1	webbook
Heat Capacity (298.15K)	154.80	1.00	J K^-1 mol^-1	webbook

Bond Type	Count
C:C	14
H-C	8

Atom 1	Atom 2
C1	C2
C1	C5
C1	C6
C2	C3
C3	C4
C3	C7
C3	H15
C4	C8
C4	H16
C5	C9
C5	C11
C6	C10
C6	C12
C7	C9
C7	H13
C8	C10
C8	H14
C9	H17
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	¹A₁	C_2v	True							C_2v	1	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	¹A₁	C_2v	True						C_2v	1	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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Experimental > One molecule all properties

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

squib	reference	DOI
2007Tho/The:1309-1314	S. Thorwirth, P Theule, CA Gottlieb, MC McCarthy, P Thaddeus "ROTATIONAL SPECTRA OF SMALL PAHs: ACENAPHTHYLENE, AZULENE, AND FLUORENE" Astrophysical Journal 662 1309 - 1314, 2007	10.1086/518026
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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

Experimental data for C12H8 (Acenaphthylene)

Experimental data for C₁₂H₈ (Acenaphthylene)

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