ChemSpider 2D Image | 3-(1,3-Dioxan-2-yl)-1-(9-phenanthryl)-1-propanone | C21H20O3

3-(1,3-Dioxan-2-yl)-1-(9-phenanthryl)-1-propanone

  • Molecular FormulaC21H20O3
  • Average mass320.382 Da
  • Monoisotopic mass320.141235 Da
  • ChemSpider ID21402719

More details:

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

1-Propanone, 3-(1,3-dioxan-2-yl)-1-(9-phenanthrenyl)- [ACD/Index Name]
3-(1,3-Dioxan-2-yl)-1-(9-phenanthrenyl)-1-propanone
3-(1,3-Dioxan-2-yl)-1-(9-phenanthryl)-1-propanon [German] [ACD/IUPAC Name]
3-(1,3-Dioxan-2-yl)-1-(9-phenanthryl)-1-propanone [ACD/IUPAC Name]
3-(1,3-Dioxan-2-yl)-1-(9-phénanthryl)-1-propanone [French] [ACD/IUPAC Name]
898756-44-0 [RN]
3-(1,3-Dioxan-2-yl)-1-(phenanthren-9-yl)propan-1-one
3-(1,3-dioxan-2-yl)-1-phenanthren-9-ylpropan-1-one
9-[3-(1,3-dioxan-2-yl)propionyl]phenanthrene
MFCD03844328 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 260.7±9.6 °C
Index of Refraction: 1.631
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 737.01
ACD/KOC (pH 5.5): 3927.69
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 737.01
ACD/KOC (pH 7.4): 3927.69
Polar Surface Area: 36 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 270.3±3.0 cm3

Click to predict properties on the Chemicalize site


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