CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)		kJ mol^-1
Hfg(0K)		kJ mol^-1
Heat Capacity (298.15K)	103.47	J K^-1 mol^-1	webbook

Bond Type	Count
C:C	6
C-C	1
H-C	5
C=O	1
C-O	1
H-O	1

Atom 1	Atom 2
C1	C2
C1	C6
C1	C7
C2	C3
C2	H10
C3	C4
C3	H11
C4	C5
C4	H12
C5	C6
C5	H13
C6	H14
C7	O8
C7	O9
O9	H15

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^'	C_s	True							C_s	2	3

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^'	C_s	True						C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom 1	Atom 2
C1	C2
C1	C6
C1	C7
C2	C3
C2	H10
C3	C4
C3	H11
C4	C5
C4	H12
C5	C6
C5	H13
C6	H14
C7	O8
C7	O9
O9	H15

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Atom 1	Atom 2
C1	C2
C1	C6
C1	C7
C2	C3
C2	H10
C3	C4
C3	H11
C4	C5
C4	H12
C5	C6
C5	H13
C6	H14
C7	O8
C7	O9
O9	H15

Experimental data for C6H5COOH (benzoic acid)

Experimental data for C₆H₅COOH (benzoic acid)

Atom 1	Atom 2
C1	C2
C1	C6
C1	C7
C2	C3
C2	H10
C3	C4
C3	H11
C4	C5
C4	H12
C5	C6
C5	H13
C6	H14
C7	O8
C7	O9
O9	H15