ChemSpider 2D Image | 3-(Dodecanoyloxy)-2-(palmitoyloxy)propyl stearate | C49H94O6

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

  • Molecular FormulaC49H94O6
  • Average mass779.267 Da
  • Monoisotopic mass778.705017 Da
  • ChemSpider ID30791067

More details:

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

1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol
3-(Dodecanoyloxy)-2-(palmitoyloxy)propyl stearate [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-(palmitoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 3-[(1-oxododecyl)oxy]-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de 3-(dodecanoyloxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]

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

C13869 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 741.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 281.2±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 234.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.02
ACD/LogD (pH 5.5): 20.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 848.2±3.0 cm3

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