Chemical Properties of 2-Methyl-2-propenyl p-tolyl sulphone (CAS 16192-04-4)

2-Methyl-2-propenyl p-tolyl sulphone

InChI
InChI=1S/C11H14O2S/c1-9(2)8-14(12,13)11-6-4-10(3)5-7-11/h4-7H,1,8H2,2-3H3
InChI Key
KKSRFROTRSZRSD-UHFFFAOYSA-N
Formula
C11H14O2S
SMILES
C=C(C)CS(=O)(=O)c1ccc(C)cc1
Molecular Weight1
210.29
CAS
16192-04-4
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Physical Properties

Property Value Unit Source
ΔcH°solid -6583.50 ± 1.20 kJ/mol NIST
ΔfH°gas -241.00 ± 3.00 kJ/mol NIST
ΔfH°solid -348.00 ± 1.30 kJ/mol NIST
ΔfusH° 26.69 kJ/mol Joback Calculated Property
ΔsubH° 107.00 ± 3.00 kJ/mol NIST
ΔvapH° 88.55 kJ/mol Relay (1.0) Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -3.67 Relay (1.0) Calculated Property
logPoct/wat 2.345 Crippen Calculated Property
McVol 165.880 ml/mol McGowan Calculated Property
Tboil 602.76 K Relay (1.0) Calculated Property
Tfus 339.95 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [220.48; 505.71] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.84100e+00
Coefficient B9.23930e-01
Coefficient C-4.98360e-04
Coefficient D7.63000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 220.48 J/mol×K 273.00 Calculated Property
Cp,gas 271.71 J/mol×K 353.78 Calculated Property
Cp,gas 317.49 J/mol×K 434.56 Calculated Property
Cp,gas 358.07 J/mol×K 515.33 Calculated Property
Cp,gas 393.68 J/mol×K 596.11 Calculated Property
Cp,gas 424.56 J/mol×K 676.89 Calculated Property
Cp,gas 450.97 J/mol×K 757.67 Calculated Property
Cp,gas 473.14 J/mol×K 838.44 Calculated Property
Cp,gas 491.30 J/mol×K 919.22 Calculated Property
Cp,gas 505.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Propanone, 1-[(4-methylphenyl)sulfonyl]-. 3-Butenyl p-tolyl sulphone. 2-Butenyl p-tolyl sulphone. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. p-Toluenesulfonylacetonitrile. Sulfone, p-nonylphenyl-2,3,3-tribromoallyl-. 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene. 2-(P-TOLYLSULFONYL)ACETOPHENONE. Acetic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester. Rutamarin. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. .delta.1-tetrahydrocannabinolic acid, n-butyl-boronate. 7-(2-Methylbutyryl)-9-echimidinylretronecine. dl-Metanephrine, N,O,O'-(tert-butyldimethylsilyl)-. 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine.

Find more compounds similar to 2-Methyl-2-propenyl p-tolyl sulphone.

Sources

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