ChemSpider 2D Image | 1-Hydroxy-3-(11,14-icosadienoyloxy)-2-propanyl docosanoate | C45H84O5

1-Hydroxy-3-(11,14-icosadienoyloxy)-2-propanyl docosanoate

  • Molecular FormulaC45H84O5
  • Average mass705.146 Da
  • Monoisotopic mass704.631897 Da
  • ChemSpider ID21235763

More details:

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

1-Hydroxy-3-(11,14-icosadienoyloxy)-2-propanyl docosanoate [ACD/IUPAC Name]
1-Hydroxy-3-(11,14-icosadienoyloxy)-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 1-hydroxy-3-(11,14-icosadienoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-hydroxy-1-[[(1-oxo-11,14-eicosadien-1-yl)oxy]methyl]ethyl 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: 722.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 193.0±18.1 °C
Index of Refraction: 1.477
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.62
ACD/LogD (pH 5.5): 16.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 763.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement