Chemical Properties of 2-Propanone, 1-[(4-methylphenyl)sulfonyl]- (CAS 5366-49-4)

InChI

InChI=1S/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3

InChI Key

NDQXJNHOGLQSMB-UHFFFAOYSA-N

Formula

C10H12O3S

SMILES

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

Molecular Weight¹

212.26

CAS

5366-49-4

Other Names

• 2-Propanone, 1-(p-tolylsulfonyl)-
• (p-Tolylsulfonyl)acetone
• 1-(p-Tolylsulfonyl)-2-propanone
• p-Toluenesulfonylacetone
• 4-Toluenesulfonylacetone
• (p-tolylsulphonyl)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	[356.07; 426.23]	J/mol×K	[561.51; 769.73]
Cp,gas	356.07	J/mol×K	561.51	Joback Calculated Property
Cp,gas	369.75	J/mol×K	596.21	Joback Calculated Property
Cp,gas	382.63	J/mol×K	630.92	Joback Calculated Property
Cp,gas	394.70	J/mol×K	665.62	Joback Calculated Property
Cp,gas	405.99	J/mol×K	700.33	Joback Calculated Property
Cp,gas	416.49	J/mol×K	735.03	Joback Calculated Property
Cp,gas	426.23	J/mol×K	769.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-[(4-methylphenyl)sulfonyl]-.

Sources

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

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