ChemSpider 2D Image | 3-(Octanoyloxy)-2-(tetradecanoyloxy)propyl palmitate | C41H78O6

3-(Octanoyloxy)-2-(tetradecanoyloxy)propyl palmitate

  • Molecular FormulaC41H78O6
  • Average mass667.054 Da
  • Monoisotopic mass666.579834 Da
  • ChemSpider ID64808504
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-(Octanoyloxy)-2-(tetradecanoyloxy)propyl palmitate [ACD/IUPAC Name]
3-(Octanoyloxy)-2-(tetradecanoyloxy)propylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 3-[(1-oxooctyl)oxy]-2-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
Palmitate de 3-(octanoyloxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(octanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate
1-octanoyl-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol
3-(octanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate
TG(16:0/14:0/8:0)
TG(8:0/14:0/16:0)
triacylglycerol (8:0/14:0/16:0)

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): 16.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.39
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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