CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-426.77	2.51	kJ mol^-1	webbook
Hfg(0K)		2.51	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

Bond Type	Count
H-C	8
H-O	2
C-C	3
C-O	2

Atom 1	Atom 2
O1	C3
O1	H7
O2	C4
O2	H8
C3	C5
C3	H15
C3	H16
C4	C6
C4	H13
C4	H14
C5	C6
C5	H9
C5	H10
C6	H11
C6	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	¹A_g	C_2h	True							C_2h	0	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_g	C_2h	True						C_2h	0	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
O1	C3
O1	H7
O2	C4
O2	H8
C3	C5
C3	H15
C3	H16
C4	C6
C4	H13
C4	H14
C5	C6
C5	H9
C5	H10
C6	H11
C6	H12

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Atom 1	Atom 2
O1	C3
O1	H7
O2	C4
O2	H8
C3	C5
C3	H15
C3	H16
C4	C6
C4	H13
C4	H14
C5	C6
C5	H9
C5	H10
C6	H11
C6	H12

Experimental data for C4H10O2 (1,4-Butanediol)

Experimental data for C₄H₁₀O₂ (1,4-Butanediol)

Atom 1	Atom 2
O1	C3
O1	H7
O2	C4
O2	H8
C3	C5
C3	H15
C3	H16
C4	C6
C4	H13
C4	H14
C5	C6
C5	H9
C5	H10
C6	H11
C6	H12