ChemSpider 2D Image | 1,3,6-Tri-O-stearoylhexitol | C60H116O9

1,3,6-Tri-O-stearoylhexitol

  • Molecular FormulaC60H116O9
  • Average mass981.558 Da
  • Monoisotopic mass980.861938 Da
  • ChemSpider ID21173114

More details:

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

1,3,6-Tri-O-stearoylhexitol [ACD/IUPAC Name]
1,3,6-Tri-O-stearoylhexitol [German] [ACD/IUPAC Name]
1,3,6-Tri-O-stearoylhexitol [French] [ACD/IUPAC Name]
247-891-4 [EINECS]
26658-19-5 [RN]
Hexitol, 1,3,6-tris-O-(1-oxooctadecyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 921.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.1±6.0 kJ/mol
Flash Point: 231.6±27.8 °C
Index of Refraction: 1.478
Molar Refractivity: 289.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 25.08
ACD/LogD (pH 5.5): 22.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 140 Å2
Polarizability: 114.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 1023.4±3.0 cm3

Click to predict properties on the Chemicalize site


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