ChemSpider 2D Image | 2-(Oleoyloxy)-3-(stearoyloxy)propyl 9,12,15-octadecatrienoate | C57H102O6

2-(Oleoyloxy)-3-(stearoyloxy)propyl 9,12,15-octadecatrienoate

  • Molecular FormulaC57H102O6
  • Average mass883.416 Da
  • Monoisotopic mass882.767639 Da
  • ChemSpider ID21230989

More details:

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

2-(Oleoyloxy)-3-(stearoyloxy)propyl 9,12,15-octadecatrienoate [ACD/IUPAC Name]
2-(Oleoyloxy)-3-(stearoyloxy)propyl-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadécatriénoate de 2-(oleoyloxy)-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2-[(1-oxo-9-octadecen-1-yl)oxy]-3-[(1-oxooctadecyl)oxy]propyl ester [ACD/Index 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: 818.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.8±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.03
ACD/LogD (pH 5.5): 20.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site


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