CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-475.90	4.00	kJ mol^-1	webbook
Hfg(0K)		4.00	kJ mol^-1	webbook
Entropy (298.15K)	353.26		J K^-1 mol^-1	webbook

Bond Type	Count
H-C	7
H-O	1
C-C	3
C-O	1
C=O	1

Atom 1	Atom 2
C1	C2
C1	O5
C1	O6
C2	C3
C2	H7
C2	H8
C3	C4
C3	H9
C3	H10
C4	H11
C4	H12
C4	H13
O5	H14

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	C₁	True							C₁	3	5

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	C₁	True						C₁	3	5

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for C4H8O2 (Butanoic acid)

Experimental data for C₄H₈O₂ (Butanoic acid)