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Search term: KJBMOQFYZVAPGF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Butyl 4-[octyl(palmitoyl)amino]benzoate | C35H61NO3

Butyl 4-[octyl(palmitoyl)amino]benzoate

  • Molecular FormulaC35H61NO3
  • Average mass543.864 Da
  • Monoisotopic mass543.465149 Da
  • ChemSpider ID108652089

More details:

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

4-[Octyl(palmitoyl)amino]benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[octyl(1-oxohexadecyl)amino]-, butyl ester [ACD/Index Name]
Butyl 4-[octyl(palmitoyl)amino]benzoate [ACD/IUPAC Name]
Butyl-4-[octyl(palmitoyl)amino]benzoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 626.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±26.8 °C
Index of Refraction: 1.497
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 14.11
ACD/LogD (pH 5.5): 13.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 575.1±3.0 cm3

Click to predict properties on the Chemicalize site


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