ChemSpider 2D Image | 5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone | C17H24O3

5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID21402580

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-phenyl- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-phenyl-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-phenyl-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-phényl-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
898785-43-8 [RN]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylpentan-1-one
MFCD03844222 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 378.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 174.3±7.4 °C
Index of Refraction: 1.491
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.30
ACD/KOC (pH 5.5): 1665.52
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.30
ACD/KOC (pH 7.4): 1665.52
Polar Surface Area: 36 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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