Chemical Properties of 1-Methyl-4-(1-methyl-ethnenylsulphonyl)benzene (CAS 67605-02-1)

1-Methyl-4-(1-methyl-ethnenylsulphonyl)benzene

InChI
InChI=1S/C10H12O2S/c1-8(2)13(11,12)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChI Key
FNWOMDYVPDCDJB-UHFFFAOYSA-N
Formula
C10H12O2S
SMILES
C=C(C)S(=O)(=O)c1ccc(C)cc1
Molecular Weight1
196.27
CAS
67605-02-1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°solid -5966.80 ± 1.90 kJ/mol NIST
ΔfH°gas -197.00 ± 3.00 kJ/mol NIST
ΔfH°solid -285.20 ± 2.00 kJ/mol NIST
ΔfusH° 24.10 kJ/mol Joback Calculated Property
ΔsubH° 89.00 ± 2.00 kJ/mol NIST
ΔvapH° 77.03 kJ/mol Relay (1.0) Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
log10WS -3.48 Relay (1.0) Calculated Property
logPoct/wat 2.302 Crippen Calculated Property
McVol 151.790 ml/mol McGowan Calculated Property
Tboil 579.17 K Relay (1.0) Calculated Property
Tfus 359.41 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 [199.27; 454.12] 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 A4.75000e+00
Coefficient B8.28930e-01
Coefficient C-4.43960e-04
Coefficient D6.44000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 199.27 J/mol×K 273.00 Calculated Property
Cp,gas 245.29 J/mol×K 353.78 Calculated Property
Cp,gas 286.41 J/mol×K 434.56 Calculated Property
Cp,gas 322.84 J/mol×K 515.33 Calculated Property
Cp,gas 354.77 J/mol×K 596.11 Calculated Property
Cp,gas 382.40 J/mol×K 676.89 Calculated Property
Cp,gas 405.95 J/mol×K 757.67 Calculated Property
Cp,gas 425.62 J/mol×K 838.44 Calculated Property
Cp,gas 441.61 J/mol×K 919.22 Calculated Property
Cp,gas 454.12 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1-(ethenylsulfonyl)-4-methyl-. (E)-1-Methyl-4-(1-propenyl-sulphonyl)-benzene. 2-Butenyl p-tolyl sulphone. But-1-enyl-p-tolyl sulphone. 3-Butenyl p-tolyl sulphone. p-Tolyl propadienyl sulphone. 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene. 2-METHYLTHIANAPHTHENE-1,1 DIOXIDE. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. p-Toluenesulfonylacetonitrile. 2-Methyl-2-propenyl p-tolyl sulphone. (Z)-1-Methyl-4-(2-phenylethenyl)sulphonylbenzene. (E)-1-Methyl-4-(2-phenylethenyl)sulphonylbenzene. 2-Propanone, 1-[(4-methylphenyl)sulfonyl]-. 1-Methyl-4-(1-propynyl-sulphonyl)benzene.

Find more compounds similar to 1-Methyl-4-(1-methyl-ethnenylsulphonyl)benzene.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.