Chemical Properties of 4-(methylsulfonyl)benzaldehyde

4-(methylsulfonyl)benzaldehyde

InChI
InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key
PSVPUHBSBYJSMQ-UHFFFAOYSA-N
Formula
C8H8O3S
SMILES
CS(=O)(=O)c1ccc(C=O)cc1
Molecular Weight1
184.22
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Physical Properties

Property Value Unit Source
ω 0.5423 Relay (1.0) Calculated Property
ΔfG° -448.80 kJ/mol Joback Calculated Property
ΔfH°gas -368.32 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.19 kJ/mol Solubility Modeling of 4-(Methylsulfonyl)benzaldehyde in Nine Organic Solvents at Elevated Temperatures
ΔvapH° 99.26 kJ/mol Relay (1.0) Calculated Property
IE 9.94 eV Relay (1.0) Calculated Property
log10WS -2.06 Relay (1.0) Calculated Property
logPoct/wat 0.903 Crippen Calculated Property
McVol 129.480 ml/mol McGowan Calculated Property
Pc 4815.84 kPa Joback Calculated Property
Tboil 601.63 K Relay (1.0) Calculated Property
Tc 845.44 K Relay (1.0) Calculated Property
Tfus 410.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [267.68; 326.99] J/mol×K [510.54; 720.26] Show Hide
Cp,gas 267.68 J/mol×K 510.54 Joback Calculated Property
Cp,gas 279.21 J/mol×K 545.49 Joback Calculated Property
Cp,gas 290.07 J/mol×K 580.45 Joback Calculated Property
Cp,gas 300.27 J/mol×K 615.40 Joback Calculated Property
Cp,gas 309.82 J/mol×K 650.35 Joback Calculated Property
Cp,gas 318.73 J/mol×K 685.31 Joback Calculated Property
Cp,gas 326.99 J/mol×K 720.26 Joback Calculated Property

Similar Compounds

Methyl-p-tolyl sulfone. p-Methylsulfonylbenzyl chloride. Benzaldehyde, 4-(methylthio)-. 4-CH3SO2-C6H4-COOCH3. Benzonitrile, 4-(methylsulfonyl)-. Methyl 4-methylphenylsulfoxide. p-Toluenesulfonylacetonitrile. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. Benzene, 1-(ethenylsulfonyl)-4-methyl-. p-Tolyl propadienyl sulphone. 2-Propanone, 1-[(4-methylphenyl)sulfonyl]-. 1-Methyl-4-(1-propynyl-sulphonyl)benzene. BENZENE, (METHYLSULFONYL)-. 3-CH3SO2-C6H4-COOCH3. 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene.

Find more compounds similar to 4-(methylsulfonyl)benzaldehyde.

Mixtures

Sources

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