ChemSpider 2D Image | 2,3-Dimethoxybenzyl 4-(methylsulfonyl)benzoate | C17H18O6S

2,3-Dimethoxybenzyl 4-(methylsulfonyl)benzoate

  • Molecular FormulaC17H18O6S
  • Average mass350.386 Da
  • Monoisotopic mass350.082397 Da
  • ChemSpider ID21957783

More details:

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

2,3-Dimethoxybenzyl 4-(methylsulfonyl)benzoate [ACD/IUPAC Name]
2,3-Dimethoxybenzyl-4-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-(Méthylsulfonyl)benzoate de 2,3-diméthoxybenzyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-, (2,3-dimethoxyphenyl)methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.33
ACD/KOC (pH 5.5): 508.10
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.33
ACD/KOC (pH 7.4): 508.10
Polar Surface Area: 87 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

Click to predict properties on the Chemicalize site


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