CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-24.10	2.30	kJ mol^-1	webbook
Hfg(0K)		2.30	kJ mol^-1	webbook
Entropy (298.15K)	336.80		J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	19.94		kJ mol^-1	TRC
Heat Capacity (298.15K)	94.22		J K^-1 mol^-1	TRC

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	2990		1969Fra:89
2	A	2983		1969Fra:89
3	A	2913		1969Fra:89
4	A	1426		1969Fra:89
5	A	1419		1969Fra:89
6	A	1311		1969Fra:89
7	A	955		1969Fra:89
8	A	949		1969Fra:89
9	A	694		1969Fra:89
10	A	509		1969Fra:89
11	A	240		1969Fra:89
12	A	134		1969Fra:89
13	A	117		1969Fra:89
14	B	2990		1969Fra:89
15	B	2983		1969Fra:89
16	B	2915		1969Fra:89
17	B	1430		1969Fra:89
18	B	1415		1969Fra:89
19	B	1303		1969Fra:89
20	B	955		1969Fra:89
21	B	949		1969Fra:89
22	B	691		1969Fra:89
23	B	274		1969Fra:89
24	B	134		1969Fra:89

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	2.038		1	2			1976Hellwege(II/7)
rCS	1.810		1	3			1976Hellwege(II/7)
rCH	1.097		3	5			1976Hellwege(II/7)
aCSS	102.8		1	2	4		1976Hellwege(II/7)
aHCS	108.9		1	3	5		1976Hellwege(II/7)
dCSSC	84.7		3	1	2	4	1976Hellwege(II/7)

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

Atom 1	Atom 2
S1	S2
S1	C3
S2	C4
C3	H5
C3	H6
C3	H7
C4	H8
C4	H9
C4	H10

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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	C₂	True							C₂	1	3

squib	reference	DOI
1969Fra:89	Frankiss. Vibrational spectra and structures of S2(CH3)2 and Se2(CH3)2. J. Mol. Struct. Vol. 3. pgs. 89-101.	10.1016/0022-2860(69)80010-4
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1992Mey:99	M Meyer "Infrared, Raman, microwave and ab initio study of dimethyl disulfide: structure and forcefield" J. Mol. Struct. 273 (1992) 99-121	10.1016/0022-2860(92)87078-a
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 CH3SSCH3 (Disulfide, dimethyl)

Experimental data for CH₃SSCH₃ (Disulfide, dimethyl)