ChemSpider 2D Image | (8xi,13alpha,14beta)-Estra-4,9-diene-3,17-dione | C18H22O2

(8ξ,13α,14β)-Estra-4,9-diene-3,17-dione

  • Molecular FormulaC18H22O2
  • Average mass270.366 Da
  • Monoisotopic mass270.161987 Da
  • ChemSpider ID110102607
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(8ξ,13α,14β)-Estra-4,9-dien-3,17-dion [German] [ACD/IUPAC Name]
(8ξ,13α,14β)-Estra-4,9-diene-3,17-dione [ACD/IUPAC Name]
(8ξ,13α,14β)-Estra-4,9-diène-3,17-dione [French] [ACD/IUPAC Name]
Estra-4,9-diene-3,17-dione, (8ξ,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: 466.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 173.4±25.7 °C
Index of Refraction: 1.575
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.88
ACD/KOC (pH 5.5): 764.33
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.88
ACD/KOC (pH 7.4): 764.33
Polar Surface Area: 34 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 231.7±5.0 cm3

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