CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-316.40	1.80	kJ mol^-1	webbook
Hfg(0K)		1.80	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	11
H-O	1
C-C	4
C-O	1

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C13
C5	H6
C5	H7
C5	H8
C5	C11
O9	H10
O9	C11
C11	H12
C11	C13
C13	H14
C13	C15
C15	H16
C15	H17
C15	H18

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
C1	H2
C1	H3
C1	H4
C1	C13
C5	H6
C5	H7
C5	H8
C5	C11
O9	H10
O9	C11
C11	H12
C11	C13
C13	H14
C13	C15
C15	H16
C15	H17
C15	H18

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Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C13
C5	H6
C5	H7
C5	H8
C5	C11
O9	H10
O9	C11
C11	H12
C11	C13
C13	H14
C13	C15
C15	H16
C15	H17
C15	H18

Experimental data for C5H12O (2-Butanol, 3-methyl-)

Experimental data for C₅H₁₂O (2-Butanol, 3-methyl-)

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C13
C5	H6
C5	H7
C5	H8
C5	C11
O9	H10
O9	C11
C11	H12
C11	C13
C13	H14
C13	C15
C15	H16
C15	H17
C15	H18