Chemical Properties of Methyl-p-tolyl sulfone

Methyl-p-tolyl sulfone

InChI
InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChI Key
YYDNBUBMBZRNQQ-UHFFFAOYSA-N
Formula
C8H10O2S
SMILES
Cc1ccc(S(C)(=O)=O)cc1
Molecular Weight1
170.23
Other Names
  • (p-Tolylsulfonyl)methane
  • 1-Methansulfonyl-4-methylbenzene
  • 1-Methyl-4-(methyl-sulphonyl)benzene
  • 1-methyl-4-(methylsulfonyl)benzene
  • 4-methylphenyl methyl sulfone
  • 4-methylsulfonyltoluene
  • Benzene, 1-methyl-4-(methylsulfonyl)-
  • Methyl p-tolyl sulphone
  • NSC 2722
  • NSC 29038
  • Sulfone, methyl p-tolyl
  • methyl 4-tolyl sulfone
  • methyl p-tolyl sulfone
  • p-(methylsulphonyl)toluene
  • p-Tolyl methyl sulfone
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Physical Properties

Property Value Unit Source
ω 0.4833 Relay (1.0) Calculated Property
ΔcH°liquid -4806.45 ± 0.54 kJ/mol NIST
ΔfG° -349.28 kJ/mol Joback Calculated Property
ΔfH°gas -273.10 ± 3.40 kJ/mol NIST
ΔfH°liquid -373.10 ± 0.79 kJ/mol NIST
ΔfusH° 21.51 kJ/mol Joback Calculated Property
ΔvapH° 90.00 ± 2.00 kJ/mol NIST
IE 9.10 eV Relay (1.0) Calculated Property
log10WS -2.55 Relay (1.0) Calculated Property
logPoct/wat 1.399 Crippen Calculated Property
McVol 127.910 ml/mol McGowan Calculated Property
Pc 4356.87 kPa Joback Calculated Property
Tboil 574.97 K Relay (1.0) Calculated Property
Tc 783.45 K Relay (1.0) Calculated Property
Tfus [359.55; 361.15] K Show Hide
Tfus 359.55 K Thermodynamic functions of 1-methyl-4-(methylsulfonyl)benzene solubility in nine organic solvents from T = (278.15 to 318.15) K
Tfus 361.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.457 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [166.50; 379.72] 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 A9.25000e+00
Coefficient B6.59030e-01
Coefficient C-3.09960e-04
Coefficient D2.14000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 166.50 J/mol×K 273.00 Calculated Property
Cp,gas 204.55 J/mol×K 353.78 Calculated Property
Cp,gas 238.86 J/mol×K 434.56 Calculated Property
Cp,gas 269.48 J/mol×K 515.33 Calculated Property
Cp,gas 296.49 J/mol×K 596.11 Calculated Property
Cp,gas 319.96 J/mol×K 676.89 Calculated Property
Cp,gas 339.95 J/mol×K 757.67 Calculated Property
Cp,gas 356.53 J/mol×K 838.44 Calculated Property
Cp,gas 369.76 J/mol×K 919.22 Calculated Property
Cp,gas 379.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Methyl-p-tolyl sulfone.

Mixtures

Sources

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