ChemSpider 2D Image | 4-Chlorophenyl 4-chloro-3-methylbenzenesulfonate | C13H10Cl2O3S

4-Chlorophenyl 4-chloro-3-methylbenzenesulfonate

  • Molecular FormulaC13H10Cl2O3S
  • Average mass317.188 Da
  • Monoisotopic mass315.972778 Da
  • ChemSpider ID21860732

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Chloro-3-méthylbenzènesulfonate de 4-chlorophényle [French] [ACD/IUPAC Name]
4-Chlorophenyl 4-chloro-3-methylbenzenesulfonate [ACD/IUPAC Name]
4-Chlorphenyl-4-chlor-3-methylbenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-chloro-3-methyl-, 4-chlorophenyl ester [ACD/Index Name]
4-Chloro-3-methyl-benzenesulfonic acid 4-chloro-phenyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 448.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 224.8±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1954.45
ACD/KOC (pH 5.5): 7894.28
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1954.45
ACD/KOC (pH 7.4): 7894.28
Polar Surface Area: 52 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 223.3±3.0 cm3

Click to predict properties on the Chemicalize site


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