ChemSpider 2D Image | 2,3-Bis(dodecanoyloxy)propyl (4Z)-4-octadecenoate | C45H84O6

2,3-Bis(dodecanoyloxy)propyl (4Z)-4-octadecenoate

  • Molecular FormulaC45H84O6
  • Average mass721.145 Da
  • Monoisotopic mass720.626770 Da
  • ChemSpider ID24608139
  • Double-bond stereo - Double-bond stereo


More details:






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

(4Z)-4-Octadécénoate de 2,3-bis(dodecanoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(dodecanoyloxy)propyl (4Z)-4-octadecenoate [ACD/IUPAC Name]
2,3-Bis(dodecanoyloxy)propyl-(4Z)-4-octadecenoat [German] [ACD/IUPAC Name]
4-Octadecenoic acid, 2,3-bis[(1-oxododecyl)oxy]propyl ester, (4Z)- [ACD/Index Name]
Triacylglycerol 12:0-12:0-18:1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 702.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 271.1±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 18.57
ACD/LogD (pH 5.5): 17.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 775.8±3.0 cm3

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