ChemSpider 2D Image | 2,3-Bis(tridecanoyloxy)propyl (9Z)-9-octadecenoate | C47H88O6

2,3-Bis(tridecanoyloxy)propyl (9Z)-9-octadecenoate

  • Molecular FormulaC47H88O6
  • Average mass749.198 Da
  • Monoisotopic mass748.658081 Da
  • ChemSpider ID75320074

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9Z)-9-Octadécénoate de 2,3-bis(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(tridecanoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2,3-Bis(tridecanoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2,3-bis[(1-oxotridecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
(2R)-2,3-bis(tridecanoyloxy)propyl (9Z)-octadec-9-enoate
1,2-ditridecanoyl-3-(9Z-octadecenoyl)-sn-glycerol
TG(13:0/13:0/18:1(9Z))[iso3]
TG(13:013:018:1)
TG(44:1)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 727.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 278.6±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 19.43
ACD/LogD (pH 5.5): 18.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 808.8±3.0 cm3

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