ChemSpider 2D Image | 2-(Benzyloxy)docosanoic acid | C29H50O3

2-(Benzyloxy)docosanoic acid

  • Molecular FormulaC29H50O3
  • Average mass446.706 Da
  • Monoisotopic mass446.376007 Da
  • ChemSpider ID65324456

More details:

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

2-(Benzyloxy)docosanoic acid [ACD/IUPAC Name]
2-(Benzyloxy)docosansäure [German] [ACD/IUPAC Name]
Acide 2-(benzyloxy)docosanoïque [French] [ACD/IUPAC Name]
Docosanoic acid, 2-(phenylmethoxy)- [ACD/Index Name]
(R)-2-(Benzyloxy)docosanoic acid

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

Density: 0.9±0.1 g/cm3
Boiling Point: 564.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 172.0±16.7 °C
Index of Refraction: 1.492
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 11.77
ACD/LogD (pH 5.5): 8.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 243456.14
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 32748.22
ACD/KOC (pH 7.4): 6195.75
Polar Surface Area: 47 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 470.3±3.0 cm3

Click to predict properties on the Chemicalize site


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