ChemSpider 2D Image | 4-Chloro-3,5-dimethylphenyl 2,3,5,6-tetramethylbenzenesulfonate | C18H21ClO3S

4-Chloro-3,5-dimethylphenyl 2,3,5,6-tetramethylbenzenesulfonate

  • Molecular FormulaC18H21ClO3S
  • Average mass352.875 Da
  • Monoisotopic mass352.089996 Da
  • ChemSpider ID25987857

More details:

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

2,3,5,6-Tétraméthylbenzènesulfonate de 4-chloro-3,5-diméthylphényle [French] [ACD/IUPAC Name]
4-Chlor-3,5-dimethylphenyl-2,3,5,6-tetramethylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Chloro-3,5-dimethylphenyl 2,3,5,6-tetramethylbenzenesulfonate [ACD/IUPAC Name]
Benzenesulfonic acid, 2,3,5,6-tetramethyl-, 4-chloro-3,5-dimethylphenyl 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: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 260.5±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20662.72
ACD/KOC (pH 5.5): 42697.00
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20662.72
ACD/KOC (pH 7.4): 42697.00
Polar Surface Area: 52 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 292.7±3.0 cm3

Click to predict properties on the Chemicalize site


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