ChemSpider 2D Image | 4-Acetyl-2-methoxyphenyl 4-methoxybenzenesulfonate | C16H16O6S

4-Acetyl-2-methoxyphenyl 4-methoxybenzenesulfonate

  • Molecular FormulaC16H16O6S
  • Average mass336.360 Da
  • Monoisotopic mass336.066772 Da
  • ChemSpider ID22766890

More details:

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

4-Acetyl-2-methoxyphenyl 4-methoxybenzenesulfonate [ACD/IUPAC Name]
4-Acetyl-2-methoxyphenyl-4-methoxybenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthoxybenzènesulfonate de 4-acétyl-2-méthoxyphényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-methoxy-, 4-acetyl-2-methoxyphenyl ester [ACD/Index Name]
4-ACETYL-2-METHOXYPHENYL 4-METHOXYBENZENE-1-SULFONATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 515.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.8±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.91
ACD/KOC (pH 5.5): 705.15
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.91
ACD/KOC (pH 7.4): 705.15
Polar Surface Area: 87 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 262.6±3.0 cm3

Click to predict properties on the Chemicalize site


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