ChemSpider 2D Image | 3,6-Anhydro-1,2-bis-O-(16-methylheptadecanoyl)hexitol | C42H80O7

3,6-Anhydro-1,2-bis-O-(16-methylheptadecanoyl)hexitol

  • Molecular FormulaC42H80O7
  • Average mass697.080 Da
  • Monoisotopic mass696.590393 Da
  • ChemSpider ID98704

More details:

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

3,6-Anhydro-1,2-bis-O-(16-methylheptadecanoyl)hexitol [ACD/IUPAC Name]
3,6-Anhydro-1,2-bis-O-(16-methylheptadecanoyl)hexitol [German] [ACD/IUPAC Name]
3,6-Anhydro-1,2-bis-O-(16-méthylheptadecanoyl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 3,6-anhydro-1,2-bis-O-(16-methyl-1-oxoheptadecyl)- [ACD/Index Name]
2-(3,4-DIHYDROXYOXOLAN-2-YL)-2-[(16-METHYLHEPTADECANOYL)OXY]ETHYL 16-METHYLHEPTADECANOATE
269-410-7 [EINECS]
68238-87-9 [RN]
Anhydrohexitol diisostearate
Isostearic acid, sorbitan ester (2:1)
Sorbitan diisostearate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 733.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 202.0±25.0 °C
Index of Refraction: 1.482
Molar Refractivity: 202.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.86
ACD/LogD (pH 5.5): 12.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.56
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: 38.9±3.0 dyne/cm
Molar Volume: 711.3±3.0 cm3

Click to predict properties on the Chemicalize site


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