CCCBDB listing of experimental data page 2

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Property	Value	units	Reference	Comment
Hfg(298.15K)	-272.70	kJ mol^-1	TRC
Hfg(0K)	-248.60	kJ mol^-1	TRC
Entropy (298.15K)	309.20	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	17.27	kJ mol^-1	TRC
Heat Capacity (298.15K)	89.32	J K^-1 mol^-1	webbook
Barrier to Internal Rotation	7.0	kJ mol^-1	1970Kon/Hir:97	V3=1.68 kcal/mol

Bond Type	Count
H-C	7
H-O	1
C-C	2
C-O	1

Atom 1	Atom 2
C1	C2
C1	C3
C1	O4
C1	H5
C2	H6
C2	H7
C2	H8
C3	H9
C3	H10
C3	H11
O4	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	C₁	True		1.400	0.730	1.580	1970Kon/Hir:97	MW +-0.03 μ₀	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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squib	reference	DOI
1970Kon/Hir:97	S Kondo, E Hirota "Microwave spectrum and Internal Rotation of Isopropyl Alcohol" J. Mol. Spec. 34, 97-107 (1970)	10.1016/0022-2852(70)90077-9
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
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3CHOHCH3 (Isopropyl alcohol)

Experimental data for CH₃CHOHCH₃ (Isopropyl alcohol)