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

InChI

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

InChI Key

LABVNFAVENLDHB-UHFFFAOYSA-N

Formula

C3H6OS2

SMILES

COC(=S)SC

Molecular Weight¹

122.21

Other Names

• Carbonic acid, dithio-, O,S-dimethyl ester
• Dimethyl xanthate
• Methyl O-methylxanthate
• Methyl S-methyl xanthate
• O-Methyl S-methyl dithiocarbonate
• O,S-Dimethyl dithiocarbonate

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[113.17; 214.09]	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			3.76700e+01
Coefficient B			3.27420e-01
Coefficient C			-1.99600e-04
Coefficient D			4.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.17	J/mol×K	273.00	Calculated Property
Cp,gas	130.67	J/mol×K	353.78	Calculated Property
Cp,gas	146.25	J/mol×K	434.56	Calculated Property
Cp,gas	160.04	J/mol×K	515.33	Calculated Property
Cp,gas	172.22	J/mol×K	596.11	Calculated Property
Cp,gas	182.92	J/mol×K	676.89	Calculated Property
Cp,gas	192.30	J/mol×K	757.67	Calculated Property
Cp,gas	200.52	J/mol×K	838.44	Calculated Property
Cp,gas	207.73	J/mol×K	919.22	Calculated Property
Cp,gas	214.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonodithioic acid, O,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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