ChemSpider 2D Image | 2,3-Bis(octanoyloxy)propyl 12-methyltridecanoate | C33H62O6

2,3-Bis(octanoyloxy)propyl 12-methyltridecanoate

  • Molecular FormulaC33H62O6
  • Average mass554.842 Da
  • Monoisotopic mass554.454651 Da
  • ChemSpider ID59674155

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

12-Méthyltridécanoate de 2,3-bis(octanoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(octanoyloxy)propyl 12-methyltridecanoate [ACD/IUPAC Name]
2,3-Bis(octanoyloxy)propyl-12-methyltridecanoat [German] [ACD/IUPAC Name]
Tridecanoic acid, 12-methyl-, 2,3-bis[(1-oxooctyl)oxy]propyl ester [ACD/Index Name]
(2S)-2,3-bis(octanoyloxy)propyl 12-methyltridecanoate
TG(8:0/8:0/i-14:0)

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: 575.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 232.0±21.0 °C
Index of Refraction: 1.460
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.33
ACD/LogD (pH 5.5): 11.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 584.5±3.0 cm3

Click to predict properties on the Chemicalize site


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