ChemSpider 2D Image | 2-Hexadecyl-3-hydroxyicosanoic acid | C36H72O3

2-Hexadecyl-3-hydroxyicosanoic acid

  • Molecular FormulaC36H72O3
  • Average mass552.955 Da
  • Monoisotopic mass552.548157 Da
  • ChemSpider ID2285998

More details:

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

277-729-8 [EINECS]
2-Hexadecyl-3-hydroxyeicosanoic acid
2-Hexadecyl-3-hydroxyicosanoic acid [ACD/IUPAC Name]
2-Hexadecyl-3-hydroxyicosansäure [German] [ACD/IUPAC Name]
74124-36-0 [RN]
Acide 2-hexadécyl-3-hydroxyicosanoïque [French] [ACD/IUPAC Name]
Eicosanoic acid, 2-hexadecyl-3-hydroxy- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 639.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 354.4±23.3 °C
Index of Refraction: 1.470
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 15.68
ACD/LogD (pH 5.5): 13.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2565452.25
Polar Surface Area: 58 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 615.7±3.0 cm3

Click to predict properties on the Chemicalize site


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