Chemical Properties of Benzenemethanesulfonyl chloride

Benzenemethanesulfonyl chloride

InChI
InChI=1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key
OAHKWDDSKCRNFE-UHFFFAOYSA-N
Formula
C7H7ClO2S
SMILES
O=S(=O)(Cl)Cc1ccccc1
Molecular Weight1
190.65
Other Names
  • «alpha»-Toluenesulfonyl chloride
  • Benzylsulfochloride
  • Benzylsulfonyl chloride
  • Methanesulfonyl chloride, phenyl-
  • Phenylmethanesulfonyl chloride
  • Phenylmethane sulfo chloride
  • Phenylmethylsulfonyl chloride
  • toluene-«alpha»-sulphonyl chloride
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Physical Properties

Property Value Unit Source
ω 0.4720 Relay (1.0) Calculated Property
ΔfH°gas -277.28 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.50 kJ/mol Joback Calculated Property
ΔvapH° 66.92 kJ/mol Relay (1.0) Calculated Property
IE 9.51 eV Relay (1.0) Calculated Property
log10WS -2.68 Relay (1.0) Calculated Property
logPoct/wat 1.755 Crippen Calculated Property
McVol 126.060 ml/mol McGowan Calculated Property
Pc 4815.84 kPa Joback Calculated Property
Tboil 540.58 K Relay (1.0) Calculated Property
Tc 795.97 K Relay (1.0) Calculated Property
Tfus 348.66 K Relay (1.0) Calculated Property
Vc 0.434 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [156.14; 339.44] 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 A8.75100e+00
Coefficient B6.30290e-01
Coefficient C-3.43000e-04
Coefficient D4.34000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 156.14 J/mol×K 273.00 Calculated Property
Cp,gas 190.73 J/mol×K 353.78 Calculated Property
Cp,gas 221.44 J/mol×K 434.56 Calculated Property
Cp,gas 248.41 J/mol×K 515.33 Calculated Property
Cp,gas 271.78 J/mol×K 596.11 Calculated Property
Cp,gas 291.69 J/mol×K 676.89 Calculated Property
Cp,gas 308.28 J/mol×K 757.67 Calculated Property
Cp,gas 321.67 J/mol×K 838.44 Calculated Property
Cp,gas 332.01 J/mol×K 919.22 Calculated Property
Cp,gas 339.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, [(methylsulfonyl)methyl]-. Benzyl sulfone. Toluenesulfonamide, alpha-. Benzene, 1,1'-[sulfinylbis(methylene)]bis-. Benzene, [(methylsulfinyl)methyl]-. Benzyl sulfide. Thiocyanic acid, phenylmethyl ester. Benzenemethanethiol. Benzene, 1,1'-[sulfonylbis(methylene)]bis[4-chloro-. Benzyl methyl sulfide. BENZYL METHYL DISULFIDE. Disulfide, bis(phenylmethyl). S-benzylthioacetate. trans-1,2-Bis(benzylthio)-ethylene. (Z)-1,2-Bis(benzylthio)-ethylene.

Find more compounds similar to Benzenemethanesulfonyl chloride.

Sources

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