ChemSpider 2D Image | 1,3-Dioxo-2-propyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl palmitate | C31H43NO4

1,3-Dioxo-2-propyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl palmitate

  • Molecular FormulaC31H43NO4
  • Average mass493.677 Da
  • Monoisotopic mass493.319214 Da
  • ChemSpider ID64934038

More details:

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

1,3-Dioxo-2-propyl-2,3-dihydro-1H-benzo[de]isochinolin-6-ylpalmitat [German] [ACD/IUPAC Name]
1,3-Dioxo-2-propyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl palmitate [ACD/IUPAC Name]
Hexadecanoic acid, 2,3-dihydro-1,3-dioxo-2-propyl-1H-benz[de]isoquinolin-6-yl ester [ACD/Index Name]
Palmitate de 1,3-dioxo-2-propyl-2,3-dihydro-1H-benzo[de]isoquinoléin-6-yle [French] [ACD/IUPAC Name]
2133807-69-7 [RN]
Hexadecanoic acid, 2,3-dihydro-1,3-dioxo-2-propyl-1H-benz[de]isoquinolin-6-yl...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 616.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.9±26.8 °C
Index of Refraction: 1.547
Molar Refractivity: 145.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 9.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3991719.75
ACD/LogD (pH 7.4): 9.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3991719.75
Polar Surface Area: 64 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 459.5±3.0 cm3

Click to predict properties on the Chemicalize site


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