ChemSpider 2D Image | 2,3-Bis(dodecanoyloxy)propyl stearate | C45H86O6

2,3-Bis(dodecanoyloxy)propyl stearate

  • Molecular FormulaC45H86O6
  • Average mass723.161 Da
  • Monoisotopic mass722.642456 Da
  • ChemSpider ID160816

More details:

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

2,3-Bis(dodecanoyloxy)propyl stearate [ACD/IUPAC Name]
2,3-Bis(dodecanoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2,3-bis[(1-oxododecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de 2,3-bis(dodecanoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-BIS(DODECANOYLOXY)PROPYL OCTADECANOATE
89612-97-5 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 703.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 270.9±23.8 °C
Index of Refraction: 1.464
Molar Refractivity: 215.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 18.89
ACD/LogD (pH 5.5): 18.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 782.2±3.0 cm3

Click to predict properties on the Chemicalize site


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