ChemSpider 2D Image | 2,5-Dichlorophenyl 3,4-dimethylbenzenesulfonate | C14H12Cl2O3S

2,5-Dichlorophenyl 3,4-dimethylbenzenesulfonate

  • Molecular FormulaC14H12Cl2O3S
  • Average mass331.214 Da
  • Monoisotopic mass329.988434 Da
  • ChemSpider ID77448256

More details:

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

2,5-Dichlorophenyl 3,4-dimethylbenzenesulfonate [ACD/IUPAC Name]
2,5-Dichlorphenyl-3,4-dimethylbenzolsulfonat [German] [ACD/IUPAC Name]
3,4-Diméthylbenzènesulfonate de 2,5-dichlorophényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,4-dimethyl-, 2,5-dichlorophenyl ester [ACD/Index Name]
2,5-dichlorophenyl 3,4-dimethylbenzene-1-sulfonate
2380032-78-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 235.1±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4157.34
ACD/KOC (pH 5.5): 13550.08
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4157.34
ACD/KOC (pH 7.4): 13550.08
Polar Surface Area: 52 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 239.5±3.0 cm3

Click to predict properties on the Chemicalize site


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