ChemSpider 2D Image | 1-(Heptadecanoyloxy)-2-butanyl stearate | C39H76O4

1-(Heptadecanoyloxy)-2-butanyl stearate

  • Molecular FormulaC39H76O4
  • Average mass609.018 Da
  • Monoisotopic mass608.574341 Da
  • ChemSpider ID28530798

More details:

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

1-(Heptadecanoyloxy)-2-butanyl stearate [ACD/IUPAC Name]
1-(Heptadecanoyloxy)-2-butanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 1-[[(1-oxoheptadecyl)oxy]methyl]propyl ester [ACD/Index Name]
Stéarate de 1-(heptadecanoyloxy)-2-butanyle [French] [ACD/IUPAC 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: 640.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 301.2±22.4 °C
Index of Refraction: 1.460
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 17.30
ACD/LogD (pH 5.5): 16.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 679.6±3.0 cm3

Click to predict properties on the Chemicalize site


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