Chemical Properties of 3-Butenyl p-tolyl sulphone (CAS 17482-19-8)

3-Butenyl p-tolyl sulphone

InChI
InChI=1S/C11H14O2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h3,5-8H,1,4,9H2,2H3
InChI Key
KFKSUCUTIOURTG-UHFFFAOYSA-N
Formula
C11H14O2S
SMILES
C=CCCS(=O)(=O)c1ccc(C)cc1
Molecular Weight1
210.29
CAS
17482-19-8
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Physical Properties

Property Value Unit Source
ΔcH°solid -6592.30 ± 1.30 kJ/mol NIST
ΔfH°gas -226.00 ± 3.00 kJ/mol NIST
ΔfH°solid -339.20 ± 1.30 kJ/mol NIST
ΔfusH° 28.00 kJ/mol Joback Calculated Property
ΔsubH° 113.00 ± 3.00 kJ/mol NIST
ΔvapH° 95.39 kJ/mol Relay (1.0) Calculated Property
IE 8.74 eV Relay (1.0) Calculated Property
log10WS -3.26 Relay (1.0) Calculated Property
logPoct/wat 2.345 Crippen Calculated Property
McVol 165.880 ml/mol McGowan Calculated Property
Tboil 616.88 K Relay (1.0) Calculated Property
Tfus 327.61 K Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [363.80; 442.17] J/mol×K [527.40; 728.37] Show Hide
Cp,gas 363.80 J/mol×K 527.40 Joback Calculated Property
Cp,gas 378.89 J/mol×K 560.89 Joback Calculated Property
Cp,gas 393.14 J/mol×K 594.39 Joback Calculated Property
Cp,gas 406.58 J/mol×K 627.88 Joback Calculated Property
Cp,gas 419.22 J/mol×K 661.38 Joback Calculated Property
Cp,gas 431.08 J/mol×K 694.87 Joback Calculated Property
Cp,gas 442.17 J/mol×K 728.37 Joback Calculated Property

Similar Compounds

2-Propanone, 1-[(4-methylphenyl)sulfonyl]-. 2-Methyl-2-propenyl p-tolyl sulphone. Benzene, (propylsulfonyl)-. 2-Butenyl p-tolyl sulphone. Sulfone, p-nonylphenyl-2,3,3-tribromoallyl-. Acetic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, butyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isobutyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, propyl ester. Sultopride. etodolac. Etodolac, methylated. N-butyl-tetrahydrocarbazole. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, ethyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester.

Find more compounds similar to 3-Butenyl p-tolyl sulphone.

Sources

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