CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	105.40	4.20	kJ mol^-1	1970COX/PIL
Hfg(0K)		4.20	kJ mol^-1	1970COX/PIL

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.072	0.020	3	8
rCBr	1.850	0.040	2
rCC	1.401	0.015	5	7
rCC	1.375	0.020	3	5
rCC	1.420	0.030	2	4
aCCC	117.4	3	3	2	4

Bond Type	Count
H-C	5
C:C	6
C-Br	1

Atom 1	Atom 2
Br1	C2
C2	C3
C2	C4
C3	C5
C3	H8
C4	C6
C4	H9
C5	C7
C5	H10
C6	C7
C6	H11
C7	H12

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				1.700	NSRDS-NBS10	DT	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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squib	reference	DOI
1965Ros/Dai:2093	R Rosenthal, BP Dailey "Microwave S[ectrum of Bromobenzene, Its Structure, Quadrupole Coupling Constants, and Carbon-Bromine Bond" J. Chem. Phys. 43(6), 2093, 1965	10.1063/1.1697080
1970COX/PIL	J.D. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds" Academic Press, London, 1970	10.1002/bbpc.19700740727
HCP_Polar	TM Miller, Handbook of Chemistry and Physics Online (http://hbcponline.com/faces/documents/10_04/10_04_0001.xhtml)
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H5Br (bromobenzene)

Experimental data for C₆H₅Br (bromobenzene)