ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-pentanone | C25H28O3

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-pentanone

  • Molecular FormulaC25H28O3
  • Average mass376.488 Da
  • Monoisotopic mass376.203857 Da
  • ChemSpider ID21402721

More details:

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

1-Pentanone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthrenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthrenyl)-1-pentanone
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(9-phénanthryl)-1-pentanone [French] [ACD/IUPAC Name]
898756-50-8 [RN]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(phenanthren-9-yl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenanthren-9-ylpentan-1-one
9-[5-(5,5-dimethyl-1,3-dioxan-2-yl)valeryl]phenanthrene
MFCD03844330 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 272.9±9.6 °C
Index of Refraction: 1.587
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7686.36
ACD/KOC (pH 5.5): 21037.30
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7686.36
ACD/KOC (pH 7.4): 21037.30
Polar Surface Area: 36 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

Click to predict properties on the Chemicalize site


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