Chemical Properties of 2-(P-TOLYLSULFONYL)ACETOPHENONE

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

C15H14O3S

SMILES

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

Molecular Weight¹

274.34

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_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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.66; 611.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.36590e+01
Coefficient B			1.21711e+00
Coefficient C			-7.03260e-04
Coefficient D			1.21160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.66	J/mol×K	273.00	Calculated Property
Cp,gas	324.27	J/mol×K	353.78	Calculated Property
Cp,gas	382.38	J/mol×K	434.56	Calculated Property
Cp,gas	433.38	J/mol×K	515.33	Calculated Property
Cp,gas	477.64	J/mol×K	596.11	Calculated Property
Cp,gas	515.55	J/mol×K	676.89	Calculated Property
Cp,gas	547.49	J/mol×K	757.67	Calculated Property
Cp,gas	573.85	J/mol×K	838.44	Calculated Property
Cp,gas	595.01	J/mol×K	919.22	Calculated Property
Cp,gas	611.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(P-TOLYLSULFONYL)ACETOPHENONE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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