Chemical Properties of Ethanethioic acid, chloro-, S-(1-hydroxy-1-methylethyl) ester (CAS 37960-78-4)

InChI

InChI=1S/C5H9ClO2S/c1-5(2,8)9-4(7)3-6/h8H,3H2,1-2H3

InChI Key

GDDZVLZUEQMTLZ-UHFFFAOYSA-N

Formula

C5H9ClO2S

SMILES

CC(C)(O)SC(=O)CCl

Molecular Weight¹

168.64

CAS

37960-78-4

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[157.42; 321.30]	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			1.90110e+01
Coefficient B			6.11830e-01
Coefficient C			-4.11900e-04
Coefficient D			1.02360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.42	J/mol×K	273.00	Calculated Property
Cp,gas	188.44	J/mol×K	353.78	Calculated Property
Cp,gas	215.50	J/mol×K	434.56	Calculated Property
Cp,gas	238.93	J/mol×K	515.33	Calculated Property
Cp,gas	259.04	J/mol×K	596.11	Calculated Property
Cp,gas	276.17	J/mol×K	676.89	Calculated Property
Cp,gas	290.64	J/mol×K	757.67	Calculated Property
Cp,gas	302.77	J/mol×K	838.44	Calculated Property
Cp,gas	312.88	J/mol×K	919.22	Calculated Property
Cp,gas	321.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanethioic acid, chloro-, 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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