ChemSpider 2D Image | 4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone | C16H22O3

4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID21402579

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-phenyl- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-phenyl-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-phenyl-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-phényl-1-butanone [French] [ACD/IUPAC Name]
4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
898785-40-5 [RN]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylbutan-1-one
MFCD03844221 [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: 364.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 165.4±7.4 °C
Index of Refraction: 1.492
Molar Refractivity: 74.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.75
ACD/KOC (pH 5.5): 1120.29
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.75
ACD/KOC (pH 7.4): 1120.29
Polar Surface Area: 36 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

Click to predict properties on the Chemicalize site


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