ChemSpider 2D Image | 2-[(Heptadecanoyloxy)methyl]-1,3-propanediyl dioctadecanoate | C57H110O6

2-[(Heptadecanoyloxy)methyl]-1,3-propanediyl dioctadecanoate

  • Molecular FormulaC57H110O6
  • Average mass891.480 Da
  • Monoisotopic mass890.830261 Da
  • ChemSpider ID2016866

More details:

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

2-[(Heptadecanoyloxy)methyl]-1,3-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
2-[(Heptadecanoyloxy)methyl]-1,3-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de 2-[(heptadecanoyloxy)méthyl]-1,3-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, 2-[[(1-oxoheptadecyl)oxy]methyl]-1,3-propanediyl 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: 830.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 306.0±28.8 °C
Index of Refraction: 1.466
Molar Refractivity: 271.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.04
ACD/LogD (pH 5.5): 23.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 980.2±3.0 cm3

Click to predict properties on the Chemicalize site


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