ChemSpider 2D Image | 4-Chlorophenyl 2,3-dimethyl-5-(2-methyl-2-propanyl)benzenesulfonate | C18H21ClO3S

4-Chlorophenyl 2,3-dimethyl-5-(2-methyl-2-propanyl)benzenesulfonate

  • Molecular FormulaC18H21ClO3S
  • Average mass352.875 Da
  • Monoisotopic mass352.089996 Da
  • ChemSpider ID21671377

More details:

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

2,3-Diméthyl-5-(2-méthyl-2-propanyl)benzènesulfonate de 4-chlorophényle [French] [ACD/IUPAC Name]
4-Chlorophenyl 2,3-dimethyl-5-(2-methyl-2-propanyl)benzenesulfonate [ACD/IUPAC Name]
4-Chlorphenyl-2,3-dimethyl-5-(2-methyl-2-propanyl)benzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 5-(1,1-dimethylethyl)-2,3-dimethyl-, 4-chlorophenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 239.4±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19332.79
ACD/KOC (pH 5.5): 40711.39
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19332.79
ACD/KOC (pH 7.4): 40711.39
Polar Surface Area: 52 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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