Chemical Properties of 4-Chlorophenylsulfonylacetone (CAS 5000-48-6)

InChI

InChI=1S/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

InChI Key

BRDBHPZILGTBFY-UHFFFAOYSA-N

Formula

C9H9ClO3S

SMILES

CC(=O)CS(=O)(=O)c1ccc(Cl)cc1

Molecular Weight¹

232.68

CAS

5000-48-6

Other Names

• p-Chlorophenylsulfonylacetone
• 4-Chlorophenylsulfonylpropan-2-one
• Propan-2-one, 1-(4-chlorophenylsulphonyl)-
• 4-Chlorobenzenesulphonylpropan-2-one
• 1-[(4-Chlorophenyl)sulfonyl]acetone

• 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	[335.62; 395.88]	J/mol×K	[576.06; 792.00]
Cp,gas	335.62	J/mol×K	576.06	Joback Calculated Property
Cp,gas	347.61	J/mol×K	612.05	Joback Calculated Property
Cp,gas	358.80	J/mol×K	648.04	Joback Calculated Property
Cp,gas	369.22	J/mol×K	684.03	Joback Calculated Property
Cp,gas	378.87	J/mol×K	720.02	Joback Calculated Property
Cp,gas	387.75	J/mol×K	756.01	Joback Calculated Property
Cp,gas	395.88	J/mol×K	792.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorophenylsulfonylacetone.

Sources

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

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