ChemSpider 2D Image | 6-{[1-(Dodecanoyloxy)-2-propanyl]oxy}-6-oxohexanoic acid | C21H38O6

6-{[1-(Dodecanoyloxy)-2-propanyl]oxy}-6-oxohexanoic acid

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID29787010

More details:

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 161.6±16.7 °C
Index of Refraction: 1.466
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 2489.39
ACD/KOC (pH 5.5): 5272.92
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 39.33
ACD/KOC (pH 7.4): 83.30
Polar Surface Area: 90 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 377.1±3.0 cm3

Click to predict properties on the Chemicalize site


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