ChemSpider 2D Image | 2,3-Dimethylphenyl 3,4-dimethoxybenzenesulfonate | C16H18O5S

2,3-Dimethylphenyl 3,4-dimethoxybenzenesulfonate

  • Molecular FormulaC16H18O5S
  • Average mass322.376 Da
  • Monoisotopic mass322.087494 Da
  • ChemSpider ID22574654

More details:

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

2,3-Dimethylphenyl 3,4-dimethoxybenzenesulfonate [ACD/IUPAC Name]
2,3-Dimethylphenyl-3,4-dimethoxybenzolsulfonat [German] [ACD/IUPAC Name]
3,4-Diméthoxybenzènesulfonate de 2,3-diméthylphényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,4-dimethoxy-, 2,3-dimethylphenyl 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: 470.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 238.2±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 371.93
ACD/KOC (pH 5.5): 2407.34
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 371.93
ACD/KOC (pH 7.4): 2407.34
Polar Surface Area: 70 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 263.7±3.0 cm3

Click to predict properties on the Chemicalize site


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