ChemSpider 2D Image | 1-(Butyryloxy)-3-(palmitoyloxy)-2-propanyl (9Z)-9-octadecenoate | C41H76O6

1-(Butyryloxy)-3-(palmitoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC41H76O6
  • Average mass665.039 Da
  • Monoisotopic mass664.564209 Da
  • ChemSpider ID103874009

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 1-(butyryloxy)-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Butyryloxy)-3-(palmitoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1-(Butyryloxy)-3-(palmitoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
26622-38-8 [RN]
9-Octadecenoic acid (9Z)-, 1-[(1-oxobutoxy)methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester
9-Octadecenoic acid, 2-(1-oxobutoxy)-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 669.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 262.3±23.2 °C
Index of Refraction: 1.468
Molar Refractivity: 197.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 16.25
ACD/LogD (pH 5.5): 15.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.14
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: 34.7±3.0 dyne/cm
Molar Volume: 709.8±3.0 cm3

Click to predict properties on the Chemicalize site


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