ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-propylphenyl)-1-pentanone | C20H30O3

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-propylphenyl)-1-pentanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402672

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-(4-propylphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-propylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-propylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-propylphényl)-1-pentanone [French] [ACD/IUPAC Name]
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-propylphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-n-propylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-n-propylvalerophenone
898755-42-5 [RN]
MFCD03844284 [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: 4.58
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1266.72
ACD/KOC (pH 5.5): 5787.59
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1266.72
ACD/KOC (pH 7.4): 5787.59
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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