CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	90.70	kJ mol^-1	1995Dor/Gur:1351
Hfg(0K)	109.78	kJ mol^-1	1995Dor/Gur:1351
Entropy (298.15K)	303.53	J K^-1 mol^-1	1995Dor/Gur:1351
Integrated Heat Capacity (0 to 298.15K)	14.94	kJ mol^-1	1995Dor/Gur:1351
Heat Capacity (298.15K)	79.78	J K^-1 mol^-1	1995Dor/Gur:1351

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A	3066		1995Dor/Gur:1351
2	A	3063		1995Dor/Gur:1351
3	A	2957		1995Dor/Gur:1351
4	A	2939		1995Dor/Gur:1351
5	A	2880		1995Dor/Gur:1351
6	A	2863		1995Dor/Gur:1351
7	A	1543		1995Dor/Gur:1351
8	A	1463		1995Dor/Gur:1351
9	A	1407		1995Dor/Gur:1351
10	A	1283		1995Dor/Gur:1351
11	A	1255		1995Dor/Gur:1351
12	A	1197		1995Dor/Gur:1351
13	A	1173		1995Dor/Gur:1351
14	A	1125		1995Dor/Gur:1351
15	A	1091		1995Dor/Gur:1351
16	A	1077		1995Dor/Gur:1351
17	A	1029		1995Dor/Gur:1351
18	A	973		1995Dor/Gur:1351
19	A	928		1995Dor/Gur:1351
20	A	887		1995Dor/Gur:1351
21	A	781		1995Dor/Gur:1351
22	A	761		1995Dor/Gur:1351
23	A	687		1995Dor/Gur:1351
24	A	594		1995Dor/Gur:1351
25	A	513		1995Dor/Gur:1351
26	A	393		1995Dor/Gur:1351
27	A

Bond Type	Count
H-C	6
C-C	2
C=C	1
C-S	2

Atom 1	Atom 2
C1	H2
C1	H3
C1	C4
C1	S11
C4	H5
C4	H6
C4	C9
C7	H8
C7	C9
C7	S11
C9	H10

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

	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
1982Dur/Lit:3849	Durig, J.R.; Little, T.S.; Li, Y.S. "Spectra and strucutre of small ring compounds. XLIII. Microwave spectrum of 2,3-dihdrothiophene." Journal of Chemical Physics. 76, 3849-3853 (1982)	10.1063/1.443525
1995Dor/Gur:1351	Dorofeeva and Gurvich. Ideal Gas Thermodynamic Properties of Sulphur Heterocyclic Compounds. J. Phys. Chem. Ref. Data. Vol. 24. #3. pgs. 1351-1376.	10.1063/1.555962
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C4H6S (Thiophene, 2,3-dihydro-)

Experimental data for C₄H₆S (Thiophene, 2,3-dihydro-)