Chemical Properties of Methyl 3-(4-chlorophenylthio)-2-methylpropionate (CAS 55009-84-2)

InChI

InChI=1S/C11H13ClO2S/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3

InChI Key

LQTPIEYMBJPFQS-UHFFFAOYSA-N

Formula

C11H13ClO2S

SMILES

COC(=O)C(C)CSc1ccc(Cl)cc1

Molecular Weight¹

244.74

CAS

55009-84-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.82; 490.12]	J/mol×K	[664.80; 900.59]
Cp,gas	423.82	J/mol×K	664.80	Joback Calculated Property
Cp,gas	437.25	J/mol×K	704.10	Joback Calculated Property
Cp,gas	449.70	J/mol×K	743.40	Joback Calculated Property
Cp,gas	461.20	J/mol×K	782.70	Joback Calculated Property
Cp,gas	471.76	J/mol×K	821.99	Joback Calculated Property
Cp,gas	481.40	J/mol×K	861.29	Joback Calculated Property
Cp,gas	490.12	J/mol×K	900.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3-(4-chlorophenylthio)-2-methylpropionate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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