ChemSpider 2D Image | 1-(4-Butylphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone | C20H30O3

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

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402667

More details:






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

1-(4-Butylphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanon [German] [ACD/IUPAC Name]
1-(4-Butylphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone [ACD/IUPAC Name]
1-(4-Butylphényl)-4-(5,5-diméthyl-1,3-dioxan-2-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(4-butylphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)- [ACD/Index Name]
1-(4-butylphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
4'-n-butyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
4-n-butyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
898787-25-2 [RN]
MFCD03844279 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 432.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 207.3±11.0 °C
Index of Refraction: 1.490
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2438.17
ACD/KOC (pH 5.5): 9248.18
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2438.17
ACD/KOC (pH 7.4): 9248.18
Polar Surface Area: 36 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 322.8±3.0 cm3

Click to predict properties on the Chemicalize site






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