Chemical Properties of BENZENE, (METHYLSULFONYL)-

BENZENE, (METHYLSULFONYL)-

InChI
InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key
JCDWETOKTFWTHA-UHFFFAOYSA-N
Formula
C7H8O2S
SMILES
CS(=O)(=O)c1ccccc1
Molecular Weight1
156.21
Other Names
  • (Methylsulfonyl)benzene
  • (Methylsulphonyl)benzene
  • (Phenylsulfonyl)methane
  • Methyl phenyl sulfone
  • Methyl phenyl sulphone
  • NSC 41587
  • Phenyl methyl sulfone
  • Sulfone, methyl phenyl
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Physical Properties

Property Value Unit Source
PAff 812.70 kJ/mol NIST
BasG 780.30 kJ/mol NIST
ΔcH°liquid -4154.80 ± 0.67 kJ/mol NIST
ΔfH°gas -253.40 ± 3.10 kJ/mol NIST
ΔfH°liquid -345.40 ± 0.88 kJ/mol NIST
ΔfusH° 19.30 kJ/mol Joback Calculated Property
ΔvapH° 85.38 kJ/mol Relay (1.0) Calculated Property
IE [9.50; 9.85] eV Show Hide
IE 9.50 eV NIST
IE 9.85 eV NIST
IE 9.74 eV NIST
log10WS -1.97 Relay (1.0) Calculated Property
logPoct/wat 1.090 Crippen Calculated Property
McVol 113.820 ml/mol McGowan Calculated Property
Tboil 560.34 K Relay (1.0) Calculated Property
Tfus [358.00; 363.00] K Show Hide
Tfus 359.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 358.00 ± 2.00 K NIST
Tfus 363.00 ± 2.00 K NIST
Tfus 360.00 ± 3.00 K NIST
Tfus 359.00 ± 3.00 K NIST
Tfus 361.00 ± 3.00 K NIST

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 [142.74; 331.17] 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 A-4.14000e+00
Coefficient B6.23510e-01
Coefficient C-3.22600e-04
Coefficient D3.44000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 142.74 J/mol×K 273.00 Calculated Property
Cp,gas 177.59 J/mol×K 353.78 Calculated Property
Cp,gas 208.71 J/mol×K 434.56 Calculated Property
Cp,gas 236.21 J/mol×K 515.33 Calculated Property
Cp,gas 260.19 J/mol×K 596.11 Calculated Property
Cp,gas 280.77 J/mol×K 676.89 Calculated Property
Cp,gas 298.04 J/mol×K 757.67 Calculated Property
Cp,gas 312.13 J/mol×K 838.44 Calculated Property
Cp,gas 323.14 J/mol×K 919.22 Calculated Property
Cp,gas 331.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, (methylsulfinyl)-. Benzene, 1-fluoro-4-(methylsulfonyl)-. (Phenylsulfonyl)acetonitrile. Benzonitrile, 4-(methylsulfonyl)-. C7H8O3S. Phenyl propargyl sulfone. Methyl-p-tolyl sulfone. Benzene, (ethylsulfonyl)-. 4-Aminophenyl methyl sufhone. Benzene, (ethenylsulfonyl)-. Benzene, 1-methoxy-4-(methylsulfonyl)-. (1,2-Propadienylsulphonyl)-benzene. Bis(phenylsulfonyl)methane. Phenyl prop-1-ynyl sulphone. 4-(methylsulfonyl)benzaldehyde.

Find more compounds similar to BENZENE, (METHYLSULFONYL)-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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