CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-384.40		kJ mol^-1	webbook
Hfg(0K)			kJ mol^-1	webbook

Bond Type	Count
C-C	4
H-C	8
C=O	2

Atom 1	Atom 2
C1	C2
C1	C3
C1	H8
C1	H9
C2	C4
C2	O6
C3	C5
C3	O7
C4	H10
C4	H11
C4	H12
C5	H13
C5	H14
C5	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	C₂	True							C₂	1	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	C₂	True						C₂	1	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	C3
C1	H8
C1	H9
C2	C4
C2	O6
C3	C5
C3	O7
C4	H10
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15

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Atom 1	Atom 2
C1	C2
C1	C3
C1	H8
C1	H9
C2	C4
C2	O6
C3	C5
C3	O7
C4	H10
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15

Experimental data for C5H8O2 (Acetylacetone)

Experimental data for C₅H₈O₂ (Acetylacetone)

Atom 1	Atom 2
C1	C2
C1	C3
C1	H8
C1	H9
C2	C4
C2	O6
C3	C5
C3	O7
C4	H10
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15