ChemSpider 2D Image | 20-Hydroxy-6-oxocevan-3-yl benzoate | C34H47NO4

20-Hydroxy-6-oxocevan-3-yl benzoate

  • Molecular FormulaC34H47NO4
  • Average mass533.741 Da
  • Monoisotopic mass533.350525 Da
  • ChemSpider ID3419759

More details:

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

20-Hydroxy-6-oxocevan-3-yl benzoate [ACD/IUPAC Name]
20-Hydroxy-6-oxocevan-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 20-hydroxy-6-oxocévan-3-yle [French] [ACD/IUPAC Name]
Cevan-6-one, 3-(benzoyloxy)-20-hydroxy- [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: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.5±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 46.08
ACD/KOC (pH 5.5): 73.66
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 480.80
ACD/KOC (pH 7.4): 768.66
Polar Surface Area: 67 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 442.9±5.0 cm3

Click to predict properties on the Chemicalize site


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