CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-13.60	4.00	kJ mol^-1	2005Rus/Bog:573
Hfg(0K)	-0.20	4.00	kJ mol^-1	2005Rus/Bog:573
Entropy (298.15K)	277.64		J K^-1 mol^-1	2005Rus/Bog:573
Integrated Heat Capacity (0 to 298.15K)	14.23		kJ mol^-1	2005Rus/Bog:573
Heat Capacity (298.15K)	66.32		J K^-1 mol^-1	2005Rus/Bog:573

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.086		1	4			1995Kuchitsu(II/23)	C w/o O, opp O
rCH	1.085		1	5			1995Kuchitsu(II/23)	C w/o O
rCC	1.521		1	2			1995Kuchitsu(II/23)
rCH	1.088		2	7			1995Kuchitsu(II/23)	C with O
rCO	1.388		2	3			1995Kuchitsu(II/23)
aHCH	108.1		2	1	4		1995Kuchitsu(II/23)	C w/o O
aHCC	110.8		2	1	4		1995Kuchitsu(II/23)	H opp O, other C
aHCH	106.5		7	2	8		1995Kuchitsu(II/23)	on C with O
aCCO	114.4		1	2	3		1995Kuchitsu(II/23)

Bond Type	Count
H-C	5
C-C	1
C-O	1

Atom 1	Atom 2
C1	C2
C1	H4
C1	H5
C1	H6
C2	O3
C2	H7
C2	H8

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	²A^'	C_s	True							C_s	2	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
1995Kuchitsu(II/23)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995
2005Rus/Bog:573	B Ruscic, JE Boggs, A Burcat, AG Csaszar, J Demaison, R Janoschek, JML Martin, ML Morton, MJ Rossi, JF Stanton, PG Szalay, PR Westmoreland, F Zabel, T Berces "IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I" J. Phys. Chem. Ref. Data, Vol. 34, No. 2, 2005, 573	10.1063/1.1724828
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3CH2O (Ethoxy radical)

Experimental data for CH₃CH₂O (Ethoxy radical)