ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)-1-pentanone | C18H25FO3

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)-1-pentanone

  • Molecular FormulaC18H25FO3
  • Average mass308.388 Da
  • Monoisotopic mass308.178772 Da
  • ChemSpider ID21402697

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-(5-fluoro-2-methylphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluor-2-methylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-méthylphényl)-1-pentanone [French] [ACD/IUPAC Name]
898755-98-1 [RN]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-5'-fluoro-2'-methylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-5-fluoro-2-methylvalerophenone
97%
MFCD03844309 [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: 399.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 188.7±20.0 °C
Index of Refraction: 1.483
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 385.92
ACD/KOC (pH 5.5): 2471.84
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 385.92
ACD/KOC (pH 7.4): 2471.84
Polar Surface Area: 36 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 293.9±3.0 cm3

Click to predict properties on the Chemicalize site


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