ChemSpider 2D Image | 1-(4-Butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone | C21H32O3

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

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID21402673

More details:

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

1-(4-Butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanon [German] [ACD/IUPAC Name]
1-(4-Butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone [ACD/IUPAC Name]
1-(4-Butylphényl)-5-(5,5-diméthyl-1,3-dioxan-2-yl)-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-(4-butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)- [ACD/Index Name]
898755-45-8 [RN]
1-(4-butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one
4'-n-butyl-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
4-n-butyl-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
MFCD03844285 [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: 445.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 215.3±11.0 °C
Index of Refraction: 1.489
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2647.85
ACD/KOC (pH 5.5): 9810.77
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2647.85
ACD/KOC (pH 7.4): 9810.77
Polar Surface Area: 36 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 339.3±3.0 cm3

Click to predict properties on the Chemicalize site


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