ChemSpider 2D Image | [5-(Isobutyryloxy)-4-oxo-4H-pyran-2-yl]methyl stearate | C28H46O6

[5-(Isobutyryloxy)-4-oxo-4H-pyran-2-yl]methyl stearate

  • Molecular FormulaC28H46O6
  • Average mass478.661 Da
  • Monoisotopic mass478.329437 Da
  • ChemSpider ID23110008

More details:

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

[5-(Isobutyryloxy)-4-oxo-4H-pyran-2-yl]methyl stearate [ACD/IUPAC Name]
[5-(Isobutyryloxy)-4-oxo-4H-pyran-2-yl]methylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, [5-(2-methyl-1-oxopropoxy)-4-oxo-4H-pyran-2-yl]methyl ester [ACD/Index Name]
Stéarate de [5-(isobutyryloxy)-4-oxo-4H-pyran-2-yl]méthyle [French] [ACD/IUPAC Name]
{5-[(2-methylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl octadecanoate
Octadecanoic acid 5-isobutyryloxy-4-oxo-4H-pyran-2-ylmethyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 241.5±30.2 °C
Index of Refraction: 1.492
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 9.80
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1622809.50
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1622809.50
Polar Surface Area: 79 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 463.8±5.0 cm3

Click to predict properties on the Chemicalize site


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