ChemSpider 2D Image | 1,4-Anhydro-3,5-di-O-stearoylhexitol | C42H80O7

1,4-Anhydro-3,5-di-O-stearoylhexitol

  • Molecular FormulaC42H80O7
  • Average mass697.080 Da
  • Monoisotopic mass696.590393 Da
  • ChemSpider ID13816845

More details:

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

1,4-Anhydro-3,5-di-O-stearoylhexitol [ACD/IUPAC Name]
1,4-Anhydro-3,5-di-O-stearoylhexitol [German] [ACD/IUPAC Name]
1,4-Anhydro-3,5-di-O-stearoylhexitol [French] [ACD/IUPAC Name]
253-084-8 [EINECS]
36521-89-8 [RN]
Hexitol, 1,4-anhydro-3,5-bis-O-(1-oxooctadecyl)- [ACD/Index Name]
Sorbitan, dioctadecanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 205.7±26.4 °C
Index of Refraction: 1.490
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.75
ACD/LogD (pH 5.5): 14.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 102 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 701.6±5.0 cm3

Click to predict properties on the Chemicalize site


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