ChemSpider 2D Image | 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-butanone | C24H26O3

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-butanone

  • Molecular FormulaC24H26O3
  • Average mass362.461 Da
  • Monoisotopic mass362.188202 Da
  • ChemSpider ID21402720

More details:

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

1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthrenyl)- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(9-phénanthryl)-1-butanone [French] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(phenanthren-9-yl)butan-1-one
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenanthren-9-ylbutan-1-one
898756-47-3 [RN]
9-[4-(5,5-dimethyl -1,3-dioxan-2-yl )butyryl ]phenanthrene
9-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butyryl]phenanthrene
MFCD03844329 [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: 529.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 266.7±9.6 °C
Index of Refraction: 1.593
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5033.79
ACD/KOC (pH 5.5): 15538.50
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5033.79
ACD/KOC (pH 7.4): 15538.50
Polar Surface Area: 36 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


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