ChemSpider 2D Image | 1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl pentadecanoate | C39H74O6

1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl pentadecanoate

  • Molecular FormulaC39H74O6
  • Average mass639.001 Da
  • Monoisotopic mass638.548523 Da
  • ChemSpider ID59673978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl pentadecanoate [ACD/IUPAC Name]
1-(Octanoyloxy)-3-(tridecanoyloxy)-2-propanyl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de 1-(octanoyloxy)-3-(tridecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Pentadecanoic acid, 2-[(1-oxooctyl)oxy]-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(octanoyloxy)-3-(tridecanoyloxy)propan-2-yl pentadecanoate
TG(8:0/15:0/13:0)

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: 643.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 253.5±22.4 °C
Index of Refraction: 1.463
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.70
ACD/LogD (pH 5.5): 15.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 683.1±3.0 cm3

Click to predict properties on the Chemicalize site


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