ChemSpider 2D Image | 4-{[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-(2-oxononyl)benzoic acid | C32H42O9

4-{[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-(2-oxononyl)benzoic acid

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID9289619

More details:

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

4-{[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-(2-oxononyl)benzoesäure [German] [ACD/IUPAC Name]
4-{[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-(2-oxononyl)benzoic acid [ACD/IUPAC Name]
Acide 4-{[2-hydroxy-4-méthoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-méthoxy-6-(2-oxononyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 4-carboxy-3-methoxy-5-(2-oxononyl)phenyl 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: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 220.9±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 6155.40
ACD/KOC (pH 5.5): 4976.04
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 174.75
ACD/KOC (pH 7.4): 141.27
Polar Surface Area: 136 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 489.8±3.0 cm3

Click to predict properties on the Chemicalize site


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