ChemSpider 2D Image | 2,3-Bis(dodecanoyloxy)propyl (4Z,7Z)-4,7-octadecadienoate | C45H82O6

2,3-Bis(dodecanoyloxy)propyl (4Z,7Z)-4,7-octadecadienoate

  • Molecular FormulaC45H82O6
  • Average mass719.129 Da
  • Monoisotopic mass718.611145 Da
  • ChemSpider ID24608145

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z)-4,7-Octadécadiénoate de 2,3-bis(dodecanoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(dodecanoyloxy)propyl (4Z,7Z)-4,7-octadecadienoate [ACD/IUPAC Name]
2,3-Bis(dodecanoyloxy)propyl-(4Z,7Z)-4,7-octadecadienoat [German] [ACD/IUPAC Name]
4,7-Octadecadienoic acid, 2,3-bis[(1-oxododecyl)oxy]propyl ester, (4Z,7Z)- [ACD/Index Name]
Triacylglycerol 12:0-12:0-18:2

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

Density: 0.9±0.1 g/cm3
Boiling Point: 710.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 274.6±30.2 °C
Index of Refraction: 1.473
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.05
ACD/LogD (pH 5.5): 17.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.45
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: 34.8±3.0 dyne/cm
Molar Volume: 769.4±3.0 cm3

Click to predict properties on the Chemicalize site


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