CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)		2.50	kJ mol^-1	1996Dav/Bie:2590
Hfg(0K)	352.70	2.50	kJ mol^-1	1996Dav/Bie:2590
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	79.21		J K^-1 mol^-1	TRC

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	3086		2001Lap/Spa:10502
2	A₁	3072		2001Lap/Spa:10502
3	A₁	3037		2001Lap/Spa:10502
4	A₁	1497		2001Lap/Spa:10502
5	A₁	1439		2001Lap/Spa:10502
6	A₁	1151		2001Lap/Spa:10502
7	A₁	1028		2001Lap/Spa:10502
8	A₁	998		2001Lap/Spa:10502
9	A₁	973		2001Lap/Spa:10502
10	A₁	605		2001Lap/Spa:10502
11	A₂	945		2001Lap/Spa:10502				tentative
12	A₂	816		2001Lap/Spa:10502				tentative
13	A₂
14	B₁	990		2001Lap/Spa:10502
15	B₁	873		2001Lap/Spa:10502
16	B₁	703		2001Lap/Spa:10502
17	B₁	655		2001Lap/Spa:10502
18	B₁	415		2001Lap/Spa:10502
19	B₂	3070		2001Lap/Spa:10502
20	B₂	3060		2001Lap/Spa:10502
21	B₂	1593		2001Lap/Spa:10502
22	B₂	1432		2001Lap/Spa:10502
23	B₂	1310		2001Lap/Spa:10502
24	B₂	1281		2001Lap/Spa:10502
25	B₂	1159		2001Lap/Spa:10502
26	B₂	1060		2001Lap/Spa:10502
27	B₂	588		2001Lap/Spa:10502

Bond Type	Count
C:C	6
H-C	5

Atom 1	Atom 2
C1	C2
C1	C3
C2	C4
C2	H7
C3	C5
C3	H8
C4	C6
C4	H9
C5	C6
C5	H10
C6	H11

Energy (cm^-1)	Degeneracy	reference	description
0	2		²A₁
13700	2	webbook

	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

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	²A₁	C_2v	True							C_2v	1	2

squib	reference	DOI
1996Dav/Bie:2590	GE Davico, VM Bierbaum, CH DePuy, GB Ellison, RR Squires "The C-H Bond Energy of Benzene" JACS 1995, 117, 2590-2599	10.1021/ja00114a023
2001Lap/Spa:10502	A Lapinski, J Spanget-Larsen, M Laggard, J Waluk, JG Radziszewski "Raman spectrum of the phenyl radical" J. Phys. Chem. A 105(46) 10520-10524, 2001	10.1021/jp0114900
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H5 (phenyl)

Experimental data for C₆H₅ (phenyl)