Chemical Properties of 2-(p-Tolylsulfonyl)acetophenone (CAS 31378-03-7)

InChI

InChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key

RFQXSRPFYWMUDV-UHFFFAOYSA-N

Formula

C17H18OS

SMILES

Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1

Molecular Weight¹

270.39

CAS

31378-03-7

Other Names

• «alpha»-(p-Tolylsulfonyl)acetophenone
• «alpha»-(p-Toluenesulfonyl)acetophenone
• «alpha»-(4-Toluenesulfonyl)acetophenone
• Ethanone, 2-[(4-methylphenyl)sulfonyl]-1-phenyl-
• Acetophenone, 2-(p-tolylsulfonyl)-
• (p-Tolylsulfonyl)benzoylmethane
• 2-(p-Toluenesulfonyl)acetophenone
• 4-Methylphenyl phenacyl sulfone
• p-Tolyl phenacyl sulfone
• Phenacyl p-tolyl sulfone
• «alpha»-(4-Toluenesulphonyl)acetophenone
• NSC 140338
• 2-[(4-methylphenyl)sulphonyl]-1-phenylethan-1-one

• 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	[526.34; 598.37]	J/mol×K	[702.59; 934.12]
Cp,gas	526.34	J/mol×K	702.59	Joback Calculated Property
Cp,gas	541.44	J/mol×K	741.18	Joback Calculated Property
Cp,gas	555.24	J/mol×K	779.77	Joback Calculated Property
Cp,gas	567.80	J/mol×K	818.36	Joback Calculated Property
Cp,gas	579.14	J/mol×K	856.95	Joback Calculated Property
Cp,gas	589.32	J/mol×K	895.54	Joback Calculated Property
Cp,gas	598.37	J/mol×K	934.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(p-Tolylsulfonyl)acetophenone.

Sources

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

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