Chemical Properties of Ethanethioic acid, dichloro-, S-(1-hydroxy-1-methylethyl) ester

InChI

InChI=1S/C5H8Cl2O2S/c1-5(2,9)10-4(8)3(6)7/h3,9H,1-2H3

InChI Key

VTFPEDMFUNDKGF-UHFFFAOYSA-N

Formula

C5H8Cl2O2S

SMILES

CC(C)(O)SC(=O)C(Cl)Cl

Molecular Weight¹

203.09

• 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_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, 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	[170.51; 330.11]	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			3.02200e+01
Coefficient B			6.24530e-01
Coefficient C			-4.35500e-04
Coefficient D			1.10860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.51	J/mol×K	273.00	Calculated Property
Cp,gas	201.57	J/mol×K	353.78	Calculated Property
Cp,gas	228.47	J/mol×K	434.56	Calculated Property
Cp,gas	251.58	J/mol×K	515.33	Calculated Property
Cp,gas	271.24	J/mol×K	596.11	Calculated Property
Cp,gas	287.80	J/mol×K	676.89	Calculated Property
Cp,gas	301.62	J/mol×K	757.67	Calculated Property
Cp,gas	313.04	J/mol×K	838.44	Calculated Property
Cp,gas	322.42	J/mol×K	919.22	Calculated Property
Cp,gas	330.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanethioic acid, dichloro-, S-(1-hydroxy-1-methylethyl) 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

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