ChemSpider 2D Image | (5-Bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid | C21H28BrO5P

(5-Bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid

  • Molecular FormulaC21H28BrO5P
  • Average mass471.322 Da
  • Monoisotopic mass470.085754 Da
  • ChemSpider ID35033518

More details:

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

(5-Brom-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonsäure [German] [ACD/IUPAC Name]
(5-Bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid [ACD/IUPAC Name]
Acide (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phényl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [5-bromo-2-[[3-(octyloxy)phenyl]methoxy]phenyl]- [ACD/Index Name]
0YX

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 9.82
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 86 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 341.7±5.0 cm3

Click to predict properties on the Chemicalize site


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