ChemSpider 2D Image | 3-(Butyryloxy)-2-(palmitoyloxy)propyl stearate | C41H78O6

3-(Butyryloxy)-2-(palmitoyloxy)propyl stearate

  • Molecular FormulaC41H78O6
  • Average mass667.054 Da
  • Monoisotopic mass666.579834 Da
  • ChemSpider ID57508817

More details:






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

3-(Butyryloxy)-2-(palmitoyloxy)propyl stearate [ACD/IUPAC Name]
3-(Butyryloxy)-2-(palmitoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 3-(1-oxobutoxy)-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de 3-(butyryloxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
3-(BUTANOYLOXY)-2-(HEXADECANOYLOXY)PROPYL OCTADECANOATE
TG(18:0/16:0/4:0)
TG(4:0/16:0/18:0)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 663.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 259.6±22.4 °C
Index of Refraction: 1.463
Molar Refractivity: 197.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 16.77
ACD/LogD (pH 5.5): 15.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 716.1±3.0 cm3

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