CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-22.55	0.29	kJ mol^-1	1990STE/CHI
Hfg(0K)		0.29	kJ mol^-1	1990STE/CHI
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.276		2	3			1969Rog/Sch:397	!assumed
rNO	1.408		3	4			1969Rog/Sch:397	!assumed
rOH	0.956		4	5			1969Rog/Sch:397	!assumed
rCH	1.085		2	9			1969Rog/Sch:397	!assumed
rCH	1.100		1	6			1969Rog/Sch:397	!assumed
rCC	1.550		1	2			1969Rog/Sch:397	!assumed
aHON	103		3	4	5		1969Rog/Sch:397	!assumed
aCNO	110		2	3	4		1969Rog/Sch:397	!assumed
aHCN	122		3	2	9		1969Rog/Sch:397	!assumed
aCCN	116		1	2	3		1969Rog/Sch:397	!assumed
aHCH	109.4		6	1	7		1969Rog/Sch:397	!assumed

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

Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C1	H8
C2	N3
C2	H9
N3	O4
O4	H5

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^'	CS trans	True	0.887	0.304		0.938	1969Rog/Sch:397	μ_x = μ_a , μ_y =μ_b	C_s	2	3
1	2	¹A^'	CS cis	False	0.801	0.284		0.850	1969Rog/Sch:397	μ_x = μ_a , μ_y =μ_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
1969Rog/Sch:397	Rogowski, Schwendeman, Microwave Spectra, Barriers to Internal Rotation, Quadrupole Coupling Constants, and Dipole Moments of cis- and trans-Acetaldoxime	10.1063/1.1670810
1990STE/CHI	Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., Determination of ideal-gas enthalpies of formation for key compounds, Am. Inst. Chem. Eng. Symp. Ser. (AIChE Symp. Ser.), 1990, 138-154.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3CHNOH (Acetaldoxime)

Experimental data for CH₃CHNOH (Acetaldoxime)