ChemSpider 2D Image | 1-Hydroxy-3-[(9Z)-9-octadecen-1-yloxy]-2-propanyl stearate | C39H76O4

1-Hydroxy-3-[(9Z)-9-octadecen-1-yloxy]-2-propanyl stearate

  • Molecular FormulaC39H76O4
  • Average mass609.018 Da
  • Monoisotopic mass608.574341 Da
  • ChemSpider ID57500318

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Hydroxy-3-[(9Z)-9-octadecen-1-yloxy]-2-propanyl stearate [ACD/IUPAC Name]
1-Hydroxy-3-[(9Z)-9-octadecen-1-yloxy]-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-hydroxy-1-[[(9Z)-9-octadecen-1-yloxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de 1-hydroxy-3-[(9Z)-9-octadécén-1-yloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-HYDROXY-3-[(9Z)-OCTADEC-9-EN-1-YLOXY]PROPAN-2-YL OCTADECANOATE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 663.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 183.0±22.2 °C
Index of Refraction: 1.470
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.58
ACD/LogD (pH 5.5): 15.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 673.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement