ChemSpider 2D Image | [5-Bromo-2-(dodecyloxy)-1,3-phenylene]dimethanol | C20H33BrO3

[5-Bromo-2-(dodecyloxy)-1,3-phenylene]dimethanol

  • Molecular FormulaC20H33BrO3
  • Average mass401.378 Da
  • Monoisotopic mass400.161285 Da
  • ChemSpider ID57585778

More details:

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

[5-Brom-2-(dodecyloxy)-1,3-phenylen]dimethanol [German] [ACD/IUPAC Name]
[5-Bromo-2-(dodecyloxy)-1,3-phenylene]dimethanol [ACD/IUPAC Name]
[5-Bromo-2-(dodécyloxy)-1,3-phénylène]diméthanol [French] [ACD/IUPAC Name]
1,3-Benzenedimethanol, 5-bromo-2-(dodecyloxy)- [ACD/Index Name]
[5-bromo-2-(dodecyloxy)-3-(hydroxymethyl)phenyl]methanol
548735-31-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 257.7±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38600.05
ACD/KOC (pH 5.5): 66782.58
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38600.05
ACD/KOC (pH 7.4): 66782.58
Polar Surface Area: 50 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

Click to predict properties on the Chemicalize site


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