CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-86.00	kJ mol^-1	TRC
Hfg(0K)	-77.00	kJ mol^-1	TRC
Entropy (298.15K)	277.90	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	15.47	kJ mol^-1	TRC
Heat Capacity (298.15K)	71.40	J K^-1 mol^-1	TRC
Barrier to Internal Rotation	4.9	kJ mol^-1	1966Bak/Chr:883

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.171		1	4			1966Bak/Chr:883
rCC	1.306		1	2			1966Bak/Chr:883
rCC	1.518		2	3			1966Bak/Chr:883
rCH	1.083		2	5			1966Bak/Chr:883	vinyl
rCH	1.083		3	6			1966Bak/Chr:883	methyl
aCCO	180		2	1	4		1966Bak/Chr:883
aCCC	122.6		1	2	3		1966Bak/Chr:883
aHCC	113.7		1	2	5		1966Bak/Chr:883
aHCH	109.9		6	3	7		1966Bak/Chr:883

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

Atom 1	Atom 2
C1	C2
C1	O4
C2	C3
C2	H5
C3	H6
C3	H7
C3	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	¹A^'	C_s	True	1.755	0.350	0.000	1.790	1966Bak/Chr:883	x=a, y=b	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
1966Bak/Chr:883	B Bak, JJ Christiansen, K Kuntsmann, L Nygaard, J Rastrup-Andersen "Microwave Spectrum, Molecular Structure, Barrier to Internal Rotation, and Dipole Moment of Methylketene" J. Chem. Phys. 45(1), 883, 1966	10.1063/1.1727700
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 C3H4O (Methylketene)

Experimental data for C₃H₄O (Methylketene)