ChemSpider 2D Image | HYDROXYOCTACOSANYL HYDROXYSTEARATE | C46H92O4

HYDROXYOCTACOSANYL HYDROXYSTEARATE

  • Molecular FormulaC46H92O4
  • Average mass709.220 Da
  • Monoisotopic mass708.699585 Da
  • ChemSpider ID2289043

More details:






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

12-Hydroxyoctadécanoate de 2-hydroxyoctacosyle [French] [ACD/IUPAC Name]
298-937-5 [EINECS]
2-Hydroxyoctacosyl 12-hydroxyoctadecanoate [ACD/IUPAC Name]
2-Hydroxyoctacosyl-12-hydroxyoctadecanoat [German] [ACD/IUPAC Name]
93840-71-2 [RN]
HYDROXYOCTACOSANYL HYDROXYSTEARATE
Octadecanoic acid, 12-hydroxy-, 2-hydroxyoctacosyl ester [ACD/Index Name]

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

B828OBJ1V7 [DBID]
UNII:B828OBJ1V7 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 747.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.3±6.0 kJ/mol
Flash Point: 199.1±18.1 °C
Index of Refraction: 1.471
Molar Refractivity: 219.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 19.29
ACD/LogD (pH 5.5): 17.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 67 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 787.1±3.0 cm3

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