CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-10.30	1.80	kJ mol^-1	2005Rus/Bog:573
Hfg(0K)	-3.60	1.80	kJ mol^-1	2005Rus/Bog:573
Entropy (298.15K)	267.45		J K^-1 mol^-1	2005Rus/Bog:573
Integrated Heat Capacity (0 to 298.15K)	12.39		kJ mol^-1	2005Rus/Bog:573
Heat Capacity (298.15K)	50.78		J K^-1 mol^-1	2005Rus/Bog:573

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
3	A'	1875		1982Jac:407				matrix
4	A'	1420		1982Jac:407				matrix

Bond Type	Count
H-C	3
C-C	1
C=O	1

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

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
1982Jac:407	ME Jacox, "The reaction of F atoms with acetaldehyde and ethylene oxide. Vibrational spectra of the CH3CO and CH2CHO free radicals trapped in solid argon" Chem. Phys. 69(3) 407-422, 1982	10.1016/0301-0104(82)88079-8
2002Rie/Tsc:231	JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282	10.1021/cr990044u
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 CH3CO+ (acetyl cation)

Experimental data for CH₃CO⁺ (acetyl cation)