ChemSpider 2D Image | 3-[(14,16-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl (9E,12E)-9,12-octadecadienoate | C41H76O5

3-[(14,16-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC41H76O5
  • Average mass649.039 Da
  • Monoisotopic mass648.569275 Da
  • ChemSpider ID8071470
  • Double-bond stereo - Double-bond stereo


More details:






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

(9E,12E)-9,12-Octadécadiénoate de 3-[(14,16-diméthyloctadecanoyl)oxy]-2-hydroxypropyle [French] [ACD/IUPAC Name]
3-[(14,16-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
3-[(14,16-Dimethyloctadecanoyl)oxy]-2-hydroxypropyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[(14,16-dimethyl-1-oxooctadecyl)oxy]-2-hydroxypropyl ester, (9E,12E)- [ACD/Index Name]
AL072

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

Density: 0.9±0.1 g/cm3
Boiling Point: 691.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 189.9±19.4 °C
Index of Refraction: 1.476
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 16.12
ACD/LogD (pH 5.5): 13.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 698.1±3.0 cm3

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