ChemSpider 2D Image | (8alpha,13alpha,14beta)-Estra-4,9,11-triene-3,17-dione | C18H20O2

(8α,13α,14β)-Estra-4,9,11-triene-3,17-dione

  • Molecular FormulaC18H20O2
  • Average mass268.350 Da
  • Monoisotopic mass268.146332 Da
  • ChemSpider ID111312156

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8α,13α,14β)-Estra-4,9,11-trien-3,17-dion [German] [ACD/IUPAC Name]
(8α,13α,14β)-Estra-4,9,11-triene-3,17-dione [ACD/IUPAC Name]
(8α,13α,14β)-Estra-4,9,11-triène-3,17-dione [French] [ACD/IUPAC Name]
Estra-4,9,11-triene-3,17-dione, (8α,13α,14β)- [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: 489.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 181.3±25.7 °C
Index of Refraction: 1.595
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.63
ACD/KOC (pH 5.5): 374.38
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.63
ACD/KOC (pH 7.4): 374.38
Polar Surface Area: 34 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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