ChemSpider 2D Image | 11-[[1-[2-(11-hydroxy-11-oxo-undecoxy)-1-naphthyl]-2-naphthyl]oxy]undecanoic acid | C42H54O6

11-[[1-[2-(11-hydroxy-11-oxo-undecoxy)-1-naphthyl]-2-naphthyl]oxy]undecanoic acid

  • Molecular FormulaC42H54O6
  • Average mass654.875 Da
  • Monoisotopic mass654.392029 Da
  • ChemSpider ID21150850

More details:

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

11-({2'-[(10-CARBOXYDECYL)OXY]-[1,1'-BINAPHTHALENE]-2-YL}OXY)UNDECANOIC ACID
11,11'-[[1,1'-Binaphthalene]-2,2'-diylbis(oxy)]diundecanoic acid
532946-34-2 [RN]
UNDECANOIC ACID, 11,11'-[[1,1'-BINAPHTHALENE]-2,2'-DIYLBIS(OXY)]BIS-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 763.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 225.1±22.2 °C
Index of Refraction: 1.577
Molar Refractivity: 195.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 12.19
ACD/LogD (pH 5.5): 9.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 430186.69
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 2120.54
ACD/KOC (pH 7.4): 408.21
Polar Surface Area: 93 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 590.3±3.0 cm3

Click to predict properties on the Chemicalize site


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