ChemSpider 2D Image | Abieta-8,11,13-trien-12-yl palmitate | C36H60O2

Abieta-8,11,13-trien-12-yl palmitate

  • Molecular FormulaC36H60O2
  • Average mass524.860 Da
  • Monoisotopic mass524.459351 Da
  • ChemSpider ID58122000

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Abieta-8,11,13-trien-12-yl palmitate [ACD/IUPAC Name]
Abieta-8,11,13-trien-12-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (4bS,8aS)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-3-phenanthrenyl ester [ACD/Index Name]
Palmitate d'abiéta-8,11,13-trién-12-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343799/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 577.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 169.6±16.0 °C
Index of Refraction: 1.497
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 15.08
ACD/LogD (pH 5.5): 13.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 560.2±3.0 cm3

Click to predict properties on the Chemicalize site


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