ChemSpider 2D Image | 3-Methoxyphenyl 4,5-dimethoxy-2-methylbenzenesulfonate | C16H18O6S

3-Methoxyphenyl 4,5-dimethoxy-2-methylbenzenesulfonate

  • Molecular FormulaC16H18O6S
  • Average mass338.375 Da
  • Monoisotopic mass338.082397 Da
  • ChemSpider ID22574838

More details:






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

3-Methoxyphenyl 4,5-dimethoxy-2-methylbenzenesulfonate [ACD/IUPAC Name]
3-Methoxyphenyl-4,5-dimethoxy-2-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4,5-Diméthoxy-2-méthylbenzènesulfonate de 3-méthoxyphényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4,5-dimethoxy-2-methyl-, 3-methoxyphenyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 490.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.77
ACD/KOC (pH 5.5): 1768.67
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.77
ACD/KOC (pH 7.4): 1768.67
Polar Surface Area: 79 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 271.4±3.0 cm3

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