Chemical Properties of Carbonodithioic acid, S,S-dimethyl ester

InChI

InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3

InChI Key

IUXMJLLWUTWQFX-UHFFFAOYSA-N

Formula

C3H6OS2

SMILES

CSC(=O)SC

Molecular Weight¹

122.21

Other Names

• Carbonic acid, dithio-, S,S-dimethyl ester
• S,S-Dimethyl dithiocarbonate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.05; 216.30]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.67200e+01
Coefficient B			2.49620e-01
Coefficient C			-4.03000e-05
Coefficient D			-3.97400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	111.05	J/mol×K	273.00	Calculated Property
Cp,gas	128.23	J/mol×K	353.78	Calculated Property
Cp,gas	144.32	J/mol×K	434.56	Calculated Property
Cp,gas	159.22	J/mol×K	515.33	Calculated Property
Cp,gas	172.78	J/mol×K	596.11	Calculated Property
Cp,gas	184.90	J/mol×K	676.89	Calculated Property
Cp,gas	195.43	J/mol×K	757.67	Calculated Property
Cp,gas	204.26	J/mol×K	838.44	Calculated Property
Cp,gas	211.26	J/mol×K	919.22	Calculated Property
Cp,gas	216.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonodithioic acid, S,S-dimethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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