Chemical Properties of 3-Cl-4-CH3S-C6H3-COCH3 (CAS 32467-66-6)

InChI

InChI=1S/C9H9ClOS/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3

InChI Key

IYWCQEVVYVUWFY-UHFFFAOYSA-N

Formula

C9H9ClOS

SMILES

CSc1ccc(C(C)=O)cc1Cl

Molecular Weight¹

200.69

CAS

32467-66-6

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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	[303.03; 360.44]	J/mol×K	[602.04; 847.62]
Cp,gas	303.03	J/mol×K	602.04	Joback Calculated Property
Cp,gas	314.54	J/mol×K	642.97	Joback Calculated Property
Cp,gas	325.26	J/mol×K	683.90	Joback Calculated Property
Cp,gas	335.18	J/mol×K	724.83	Joback Calculated Property
Cp,gas	344.35	J/mol×K	765.76	Joback Calculated Property
Cp,gas	352.76	J/mol×K	806.69	Joback Calculated Property
Cp,gas	360.44	J/mol×K	847.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cl-4-CH3S-C6H3-COCH3.

Sources

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

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