ChemSpider 2D Image | 4-Methylphenyl 3,4-diethoxybenzenesulfonate | C17H20O5S

4-Methylphenyl 3,4-diethoxybenzenesulfonate

  • Molecular FormulaC17H20O5S
  • Average mass336.403 Da
  • Monoisotopic mass336.103149 Da
  • ChemSpider ID22574681

More details:

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

3,4-Diéthoxybenzènesulfonate de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl 3,4-diethoxybenzenesulfonate [ACD/IUPAC Name]
4-Methylphenyl-3,4-diethoxybenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,4-diethoxy-, 4-methylphenyl 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: 473.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 773.42
ACD/KOC (pH 5.5): 4065.65
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 773.42
ACD/KOC (pH 7.4): 4065.65
Polar Surface Area: 70 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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