ChemSpider 2D Image | 3-(1,3-Dioxan-2-yl)-1-(4-heptylphenyl)-1-propanone | C20H30O3

3-(1,3-Dioxan-2-yl)-1-(4-heptylphenyl)-1-propanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402664

More details:






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

1-Propanone, 3-(1,3-dioxan-2-yl)-1-(4-heptylphenyl)- [ACD/Index Name]
3-(1,3-Dioxan-2-yl)-1-(4-heptylphenyl)-1-propanon [German] [ACD/IUPAC Name]
3-(1,3-Dioxan-2-yl)-1-(4-heptylphenyl)-1-propanone [ACD/IUPAC Name]
3-(1,3-Dioxan-2-yl)-1-(4-heptylphényl)-1-propanone [French] [ACD/IUPAC Name]
3-(1,3-dioxan-2-yl)-1-(4-heptylphenyl)propan-1-one
3-(1,3-dioxan-2-yl)-4'-heptylpropiophenone
3-(1,3-dioxan-2-yl)-4-heptylpropiophenone
898787-19-4 [RN]
MFCD02261821 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 448.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 217.0±11.0 °C
Index of Refraction: 1.500
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9744.81
ACD/KOC (pH 5.5): 24931.81
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9744.81
ACD/KOC (pH 7.4): 24931.81
Polar Surface Area: 36 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 317.4±3.0 cm3

Click to predict properties on the Chemicalize site






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