CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-227.82	0.92	kJ mol^-1	webbook
Hfg(0K)		0.92	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

Bond Type	Count
H-C	8
C-C	2
C=O	1
C-S	2

Atom 1	Atom 2
O1	C2
C2	S3
C2	C7
S3	C10
H4	C7
H5	C7
H6	C7
H8	C10
H9	C10
C10	C14
H11	C14
H12	C14
H13	C14

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	C₁	True							C₁	3	5

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A	C₁	True						C₁	3	5

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom 1	Atom 2
O1	C2
C2	S3
C2	C7
S3	C10
H4	C7
H5	C7
H6	C7
H8	C10
H9	C10
C10	C14
H11	C14
H12	C14
H13	C14

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Atom 1	Atom 2
O1	C2
C2	S3
C2	C7
S3	C10
H4	C7
H5	C7
H6	C7
H8	C10
H9	C10
C10	C14
H11	C14
H12	C14
H13	C14

Experimental data for C4H8OS (s-Ethyl thioacetate)

Experimental data for C₄H₈OS (s-Ethyl thioacetate)

Atom 1	Atom 2
O1	C2
C2	S3
C2	C7
S3	C10
H4	C7
H5	C7
H6	C7
H8	C10
H9	C10
C10	C14
H11	C14
H12	C14
H13	C14