Chemical Properties of Methoxycarbonylsulfenyl chloride

InChI

InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3

InChI Key

TXJXPZVVSLAQOQ-UHFFFAOYSA-N

Formula

C2H3ClO2S

SMILES

COC(=O)SCl

Molecular Weight¹

126.56

Other Names

• Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, methyl ester
• thiocarbonic acid, anhydrosulphide with methyl thiohypochlorite

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Ionization energy, 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	[98.15; 165.48]	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			5.89700e+01
Coefficient B			1.40210e-01
Coefficient C			2.94000e-05
Coefficient D			-6.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.15	J/mol×K	273.00	Calculated Property
Cp,gas	109.46	J/mol×K	353.78	Calculated Property
Cp,gas	120.27	J/mol×K	434.56	Calculated Property
Cp,gas	130.40	J/mol×K	515.33	Calculated Property
Cp,gas	139.63	J/mol×K	596.11	Calculated Property
Cp,gas	147.78	J/mol×K	676.89	Calculated Property
Cp,gas	154.63	J/mol×K	757.67	Calculated Property
Cp,gas	160.00	J/mol×K	838.44	Calculated Property
Cp,gas	163.69	J/mol×K	919.22	Calculated Property
Cp,gas	165.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methoxycarbonylsulfenyl chloride.

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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