ChemSpider 2D Image | Benzyl 4-{[(2-methoxy-4,5-dimethylphenyl)sulfonyl]oxy}benzoate | C23H22O6S

Benzyl 4-{[(2-methoxy-4,5-dimethylphenyl)sulfonyl]oxy}benzoate

  • Molecular FormulaC23H22O6S
  • Average mass426.482 Da
  • Monoisotopic mass426.113708 Da
  • ChemSpider ID77475588

More details:

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

4-{[(2-Méthoxy-4,5-diméthylphényl)sulfonyl]oxy}benzoate de benzyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2-methoxy-4,5-dimethylphenyl)sulfonyl]oxy]-, phenylmethyl ester [ACD/Index Name]
Benzyl 4-{[(2-methoxy-4,5-dimethylphenyl)sulfonyl]oxy}benzoate [ACD/IUPAC Name]
Benzyl-4-{[(2-methoxy-4,5-dimethylphenyl)sulfonyl]oxy}benzoat [German] [ACD/IUPAC 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: 602.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.2±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5141.32
ACD/KOC (pH 5.5): 15775.38
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5141.32
ACD/KOC (pH 7.4): 15775.38
Polar Surface Area: 87 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 338.2±3.0 cm3

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