ChemSpider 2D Image | 4'-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone | C16H21ClO3

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

  • Molecular FormulaC16H21ClO3
  • Average mass296.789 Da
  • Monoisotopic mass296.117920 Da
  • ChemSpider ID21402602

More details:

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

1-(4-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone [ACD/IUPAC Name]
1-(4-Chlorophényl)-4-(5,5-diméthyl-1,3-dioxan-2-yl)-1-butanone [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-(4-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)- [ACD/Index Name]
4'-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
898785-90-5 [RN]
1-(4-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
4-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
97%
MFCD03844237 [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: 402.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 149.7±22.2 °C
Index of Refraction: 1.503
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.37
ACD/KOC (pH 5.5): 2001.52
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.37
ACD/KOC (pH 7.4): 2001.52
Polar Surface Area: 36 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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