ChemSpider 2D Image | 2-Hydroxy-1,3-propanediyl (6E,9E,12E,6'E,9'E,12'E)bis(-6,9,12-octadecatrienoate) | C39H64O5

2-Hydroxy-1,3-propanediyl (6E,9E,12E,6'E,9'E,12'E)bis(-6,9,12-octadecatrienoate)

  • Molecular FormulaC39H64O5
  • Average mass612.922 Da
  • Monoisotopic mass612.475403 Da
  • ChemSpider ID128913296

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,9E,12E,6'E,9'E,12'E)Bis(-6,9,12-octadécatriénoate) de 2-hydroxy-1,3-propanediyle [French] [ACD/IUPAC Name]
2-Hydroxy-1,3-propandiyl-(6E,9E,12E,6'E,9'E,12'E)bis(-6,9,12-octadecatrienoat) [German] [ACD/IUPAC Name]
2-Hydroxy-1,3-propanediyl (6E,9E,12E,6'E,9'E,12'E)bis(-6,9,12-octadecatrienoate) [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-hydroxy-1,3-propanediyl ester, (6E,9E,12E,6'E,9'E,12'E)- [ACD/Index 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: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 190.9±25.0 °C
Index of Refraction: 1.501
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.17
ACD/LogD (pH 5.5): 11.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 638.8±3.0 cm3

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