ChemSpider 2D Image | 2-Acetyl-4-methylphenyl 3,4-dimethoxybenzenesulfonate | C17H18O6S

2-Acetyl-4-methylphenyl 3,4-dimethoxybenzenesulfonate

  • Molecular FormulaC17H18O6S
  • Average mass350.386 Da
  • Monoisotopic mass350.082397 Da
  • ChemSpider ID30637880

More details:

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

2-Acetyl-4-methylphenyl 3,4-dimethoxybenzenesulfonate [ACD/IUPAC Name]
2-Acetyl-4-methylphenyl-3,4-dimethoxybenzolsulfonat [German] [ACD/IUPAC Name]
3,4-Diméthoxybenzènesulfonate de 2-acétyl-4-méthylphényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,4-dimethoxy-, 2-acetyl-4-methylphenyl 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: 514.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.1±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 117.12
ACD/KOC (pH 5.5): 1052.75
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 117.12
ACD/KOC (pH 7.4): 1052.75
Polar Surface Area: 87 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 278.9±3.0 cm3

Click to predict properties on the Chemicalize site


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