ChemSpider 2D Image | 1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl 14-methylhexadecanoate | C41H78O6

1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl 14-methylhexadecanoate

  • Molecular FormulaC41H78O6
  • Average mass667.054 Da
  • Monoisotopic mass666.579834 Da
  • ChemSpider ID59673819

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl 14-methylhexadecanoate [ACD/IUPAC Name]
1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl-14-methylhexadecanoat [German] [ACD/IUPAC Name]
14-Méthylhexadécanoate de 1-(octanoyloxy)-3-(tridecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 14-methyl-, 2-[(1-oxooctyl)oxy]-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(octanoyloxy)-3-(tridecanoyloxy)propan-2-yl 14-methylhexadecanoate
TG(8:0/a-17:0/13:0)[rac]

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: 661.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 258.5±22.4 °C
Index of Refraction: 1.463
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 16.58
ACD/LogD (pH 5.5): 15.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 716.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement