ChemSpider 2D Image | 2-(2,6-Dimethylphenoxy)ethyl 3-(methylsulfonyl)benzoate | C18H20O5S

2-(2,6-Dimethylphenoxy)ethyl 3-(methylsulfonyl)benzoate

  • Molecular FormulaC18H20O5S
  • Average mass348.413 Da
  • Monoisotopic mass348.103149 Da
  • ChemSpider ID21892938

More details:

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

2-(2,6-Dimethylphenoxy)ethyl 3-(methylsulfonyl)benzoate [ACD/IUPAC Name]
2-(2,6-Dimethylphenoxy)ethyl-3-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
3-(Méthylsulfonyl)benzoate de 2-(2,6-diméthylphénoxy)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(methylsulfonyl)-, 2-(2,6-dimethylphenoxy)ethyl 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: 546.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.82
ACD/KOC (pH 5.5): 1189.01
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.82
ACD/KOC (pH 7.4): 1189.01
Polar Surface Area: 78 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

Click to predict properties on the Chemicalize site


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