CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-292.70	0.30	kJ mol^-1	webbook
Hfg(0K)		0.30	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	9
H-O	1
C-C	3
C-O	1

Atom 1	Atom 2
O1	H2
O1	C6
C3	H4
C3	H5
C3	C6
C3	H15
C6	H7
C6	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	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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Atom 1	Atom 2
O1	H2
O1	C6
C3	H4
C3	H5
C3	C6
C3	H15
C6	H7
C6	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	H14

squib	reference	DOI
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
O1	H2
O1	C6
C3	H4
C3	H5
C3	C6
C3	H15
C6	H7
C6	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	H14

Experimental data for C4H10O (2-Butanol, (.+/-.)-)

Experimental data for C₄H₁₀O (2-Butanol, (.+/-.)-)

Atom 1	Atom 2
O1	H2
O1	C6
C3	H4
C3	H5
C3	C6
C3	H15
C6	H7
C6	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	H14