ChemSpider 2D Image | 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl palmitate | C22H44O6

3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl palmitate

  • Molecular FormulaC22H44O6
  • Average mass404.581 Da
  • Monoisotopic mass404.313782 Da
  • ChemSpider ID28716383

More details:

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

3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl palmitate [ACD/IUPAC Name]
3-(2,3-Dihydroxypropoxy)-2-hydroxypropylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 3-(2,3-dihydroxypropoxy)-2-hydroxypropyl ester [ACD/Index Name]
Palmitate de 3-(2,3-dihydroxypropoxy)-2-hydroxypropyle [French] [ACD/IUPAC Name]
103110-27-6 [RN]
107615-26-9 [RN]
3-(2,3-DIHYDROXYPROPOXY)-2-HYDROXYPROPYL HEXADECANOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 173.7±23.6 °C
Index of Refraction: 1.479
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11504.89
ACD/KOC (pH 5.5): 28078.15
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11504.87
ACD/KOC (pH 7.4): 28078.09
Polar Surface Area: 96 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


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