ChemSpider 2D Image | 2,2-Bis({[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}methyl)-1,3-propanediol | C41H76O6

2,2-Bis({[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}methyl)-1,3-propanediol

  • Molecular FormulaC41H76O6
  • Average mass665.039 Da
  • Monoisotopic mass664.564209 Da
  • ChemSpider ID95630897

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Propanediol, 2,2-bis[[[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy]methyl]- [ACD/Index Name]
2,2-Bis({[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}methyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2,2-Bis({[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}methyl)-1,3-propanediol [ACD/IUPAC Name]
2,2-Bis({[(1E,9E)-1-hydroxy-1,9-octadécadién-1-yl]oxy}méthyl)-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 764.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 415.9±32.9 °C
Index of Refraction: 1.503
Molar Refractivity: 201.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.60
ACD/LogD (pH 5.5): 13.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 682.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement