ChemSpider 2D Image | 1-(Dodecanoyloxy)-3-(octanoyloxy)-2-propanyl 11-methyldodecanoate | C36H68O6

1-(Dodecanoyloxy)-3-(octanoyloxy)-2-propanyl 11-methyldodecanoate

  • Molecular FormulaC36H68O6
  • Average mass596.922 Da
  • Monoisotopic mass596.501587 Da
  • ChemSpider ID59673295

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(Dodecanoyloxy)-3-(octanoyloxy)-2-propanyl 11-methyldodecanoate [ACD/IUPAC Name]
1-(Dodecanoyloxy)-3-(octanoyloxy)-2-propanyl-11-methyldodecanoat [German] [ACD/IUPAC Name]
11-Méthyldodécanoate de 1-(dodecanoyloxy)-3-(octanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Dodecanoic acid, 11-methyl-, 2-[(1-oxododecyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(dodecanoyloxy)-3-(octanoyloxy)propan-2-yl 11-methyldodecanoate
TG(8:0/i-13:0/12:0)

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: 608.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 242.6±22.4 °C
Index of Refraction: 1.461
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.93
ACD/LogD (pH 5.5): 13.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 634.0±3.0 cm3

Click to predict properties on the Chemicalize site


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