ChemSpider 2D Image | 3-Hydroxy-2-[(3-hydroxydodecanoyl)oxy]propyl (9Z)-9-octadecenoate | C33H62O6

3-Hydroxy-2-[(3-hydroxydodecanoyl)oxy]propyl (9Z)-9-octadecenoate

  • Molecular FormulaC33H62O6
  • Average mass554.842 Da
  • Monoisotopic mass554.454651 Da
  • ChemSpider ID59696076

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 3-hydroxy-2-[(3-hydroxydodecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
3-Hydroxy-2-[(3-hydroxydodecanoyl)oxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
3-Hydroxy-2-[(3-hydroxydodecanoyl)oxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 3-hydroxy-2-[(3-hydroxy-1-oxododecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
DG(18:1(9Z)/12:0(3-OH)/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 633.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 183.8±21.9 °C
Index of Refraction: 1.479
Molar Refractivity: 161.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 10.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 569.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement