ChemSpider 2D Image | 2,3-Bis(octanoyloxy)propyl docosanoate | C41H78O6

2,3-Bis(octanoyloxy)propyl docosanoate

  • Molecular FormulaC41H78O6
  • Average mass667.054 Da
  • Monoisotopic mass666.579834 Da
  • ChemSpider ID59672569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,3-Bis(octanoyloxy)propyl docosanoate [ACD/IUPAC Name]
2,3-Bis(octanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2,3-bis(octanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2,3-bis[(1-oxooctyl)oxy]propyl ester [ACD/Index Name]
(2S)-2,3-bis(octanoyloxy)propyl docosanoate
TG(8:0/8:0/22:0)

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

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

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): 16.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.12
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

Click to predict properties on the Chemicalize site


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