CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-387.50	kJ mol^-1	TRC
Hfg(0K)	-367.90	kJ mol^-1	TRC
Entropy (298.15K)	303.81	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	16.58	kJ mol^-1	TRC
Heat Capacity (298.15K)	77.99	J K^-1 mol^-1	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.420		1	4			1992Kuchitsu(II/21)	!assumed
rCC	1.530		1	2			1992Kuchitsu(II/21)	!assumed
rOH	0.950		3	5			1992Kuchitsu(II/21)	!assumed
rCH	1.093		1	9			1992Kuchitsu(II/21)	!assumed
aCCO	107.8		1	2	3		1992Kuchitsu(II/21)	!assumed
aHOC	104.5		1	4	6		1992Kuchitsu(II/21)	!assumed
aHCC	109.47		1	2	7		1992Kuchitsu(II/21)	!assumed
dHOCC	0		2	1	4	6	1992Kuchitsu(II/21)
dOCCO	53.64		3	2	1	4	1992Kuchitsu(II/21)

Bond Type	Count
H-C	4
H-O	2
C-C	1
C-O	2

Atom 1	Atom 2
C1	C2
C1	O4
C1	H9
C1	H10
C2	O3
C2	H7
C2	H8
O3	H5
O4	H6

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

	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
1992Kuchitsu(II/21)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.
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 C2H6O2 (1,2-Ethanediol)

Experimental data for C₂H₆O₂ (1,2-Ethanediol)