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

2-Propanone, 1-[(4-methylphenyl)sulfonyl]-

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
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Physical Properties

Property Value Unit Source
ω 0.5645 Relay (1.0) Calculated Property
Δf -461.36 kJ/mol Joback Calculated Property
Δfgas -429.86 kJ/mol Relay (1.0) Calculated Property
Δfus 28.29 kJ/mol Joback Calculated Property
Δvap 88.25 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -2.37 Relay (1.0) Calculated Property
logPoct/wat 1.358 Crippen Calculated Property
McVol 157.660 ml/mol McGowan Calculated Property
Pc 3699.95 kPa Joback Calculated Property
Tboil 602.37 K Relay (1.0) Calculated Property
Tc 819.59 K Relay (1.0) Calculated Property
Tfus 375.12 K Relay (1.0) Calculated Property
Vc 0.543 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [356.07; 426.23] J/mol×K [561.51; 769.73] Show Hide
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

Phenyl sulfonyl acetone. 2-Methyl-2-propenyl p-tolyl sulphone. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. p-Toluenesulfonylacetonitrile. 4-Chlorophenylsulfonylacetone. 3-Butenyl p-tolyl sulphone. Acetic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester. 2-(p-Tolylsulfonyl)acetophenone. Benzene, 1-methyl-4-(methylsulfonyl)-. 2-Butenyl p-tolyl sulphone. Benzene, (propylsulfonyl)-. p-Methylsulfonylbenzyl chloride. Sulfone, p-nonylphenyl-2,3,3-tribromoallyl-. 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene. Benzene, 1-(ethenylsulfonyl)-4-methyl-.

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

Sources

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