ChemSpider 2D Image | 3-Hydroxy-1,2-propanediyl (9E,12Z,9'E,12'Z)bis(-9,12-octadecadienoate) | C39H68O5

3-Hydroxy-1,2-propanediyl (9E,12Z,9'E,12'Z)bis(-9,12-octadecadienoate)

  • Molecular FormulaC39H68O5
  • Average mass616.954 Da
  • Monoisotopic mass616.506653 Da
  • ChemSpider ID23975991

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12Z,9'E,12'Z)Bis(-9,12-octadécadiénoate) de 3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
3-Hydroxy-1,2-propandiyl-(9E,12Z,9'E,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
3-Hydroxy-1,2-propanediyl (9E,12Z,9'E,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (9E,12Z,9'E,12'Z)- [ACD/Index Name]
2442-62-8 [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: 669.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 187.2±23.6 °C
Index of Refraction: 1.489
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.40
ACD/LogD (pH 5.5): 12.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 651.6±3.0 cm3

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