ChemSpider 2D Image | 1,2-Di-O-octanoyl-D-mannitol | C22H42O8

1,2-Di-O-octanoyl-D-mannitol

  • Molecular FormulaC22H42O8
  • Average mass434.564 Da
  • Monoisotopic mass434.287964 Da
  • ChemSpider ID29435988

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2-Di-O-octanoyl-D-mannitol [German] [ACD/IUPAC Name]
1,2-Di-O-octanoyl-D-mannitol [ACD/IUPAC Name]
1,2-Di-O-octanoyl-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1,2-bis-O-(1-oxooctyl)- [ACD/Index Name]
mannitol dioctanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 189.5±23.6 °C
Index of Refraction: 1.494
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2552.44
ACD/KOC (pH 5.5): 9556.41
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2552.43
ACD/KOC (pH 7.4): 9556.35
Polar Surface Area: 134 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 390.2±3.0 cm3

Click to predict properties on the Chemicalize site


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