Chemical Properties of 1,3-Dithiolane-2-thione (CAS 822-38-8)

InChI

InChI=1S/C3H4S3/c4-3-5-1-2-6-3/h1-2H2

InChI Key

XCWPBWWTGHQKDR-UHFFFAOYSA-N

Formula

C3H4S3

SMILES

S=C1SCCS1

Molecular Weight¹

136.26

CAS

822-38-8

Other Names

• Carbonic acid, trithio-, cyclic ethylene ester
• Cyclic ethylene trithiocarbonate
• Ethylene trithiocarbonate
• Trithiocarbonic acid, cyclic ethylene ester
• 1,3-Dithiolan-2-thione
• 1,3-Dithiacyclopentane-2-thione
• Cylic ethylene trithiocarbonate

• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°gas	-3571.00 ± 2.00	kJ/mol	NIST
ΔfG°	189.21	kJ/mol	Joback Calculated Property
ΔfH°gas	93.80 ± 2.00	kJ/mol	NIST
ΔfusH°	9.74	kJ/mol	Joback Calculated Property
ΔsubH°	81.80 ± 0.80	kJ/mol	NIST
ΔvapH°	[81.80; 82.90]	kJ/mol
ΔvapH°	82.90	kJ/mol	NIST
ΔvapH°	81.80 ± 0.80	kJ/mol	NIST
IE	[8.40; 8.40]	eV
IE	8.40	eV	NIST
IE	8.40	eV	NIST
log10WS	-2.09		Crippen Calculated Property
logPoct/wat	1.751		Crippen Calculated Property
McVol	87.020	ml/mol	McGowan Calculated Property
Pc	6493.16	kPa	Joback Calculated Property
Tboil	456.29	K	Joback Calculated Property
Tc	724.56	K	Joback Calculated Property
Tfus	369.28	K	Joback Calculated Property
Vc	0.276	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.99; 172.63]	J/mol×K	[456.29; 724.56]
Cp,gas	137.99	J/mol×K	456.29	Joback Calculated Property
Cp,gas	145.47	J/mol×K	501.00	Joback Calculated Property
Cp,gas	152.15	J/mol×K	545.71	Joback Calculated Property
Cp,gas	158.12	J/mol×K	590.42	Joback Calculated Property
Cp,gas	163.46	J/mol×K	635.13	Joback Calculated Property
Cp,gas	168.27	J/mol×K	679.85	Joback Calculated Property
Cp,gas	172.63	J/mol×K	724.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dithiolane-2-thione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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