Chemical Properties of Phenyl sulfonyl acetone (CAS 5000-44-2)

InChI

InChI=1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

YBLGSNMIIPIRFC-UHFFFAOYSA-N

Formula

C9H10O3S

SMILES

CC(=O)CS(=O)(=O)c1ccccc1

Molecular Weight¹

198.24

CAS

5000-44-2

Other Names

• 1-Methyl-2-phenylsulfonylethanone
• 2-Propanone, 1-(phenylsulfonyl)-
• 2-Propanone, (phenylsulfonyl)-
• Phenylsulfonylacetylmethane
• 1-(Phenylsulfonyl)-2-propanone
• Phenylsulphonylacetone

• 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	[310.53; 377.66]	J/mol×K	[533.65; 744.14]
Cp,gas	310.53	J/mol×K	533.65	Joback Calculated Property
Cp,gas	323.70	J/mol×K	568.73	Joback Calculated Property
Cp,gas	336.06	J/mol×K	603.81	Joback Calculated Property
Cp,gas	347.62	J/mol×K	638.89	Joback Calculated Property
Cp,gas	358.40	J/mol×K	673.97	Joback Calculated Property
Cp,gas	368.41	J/mol×K	709.06	Joback Calculated Property
Cp,gas	377.66	J/mol×K	744.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenyl sulfonyl acetone.

Sources

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

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