ChemSpider 2D Image | 4,4'-[(5-Hydroxy-4-nitro-1,3-phenylene)bis(oxy)]dibenzonitrile | C20H11N3O5

4,4'-[(5-Hydroxy-4-nitro-1,3-phenylene)bis(oxy)]dibenzonitrile

  • Molecular FormulaC20H11N3O5
  • Average mass373.318 Da
  • Monoisotopic mass373.069885 Da
  • ChemSpider ID28561027

More details:

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

4,4'-[(5-Hydroxy-4-nitro-1,3-phenylen)bis(oxy)]dibenzonitril [German] [ACD/IUPAC Name]
4,4'-[(5-Hydroxy-4-nitro-1,3-phenylene)bis(oxy)]dibenzonitrile [ACD/IUPAC Name]
4,4'-[(5-Hydroxy-4-nitro-1,3-phénylène)bis(oxy)]dibenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4,4'-[(5-hydroxy-4-nitro-1,3-phenylene)bis(oxy)]bis- [ACD/Index Name]
648891-34-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 283.5±30.1 °C
Index of Refraction: 1.700
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 48.65
ACD/KOC (pH 5.5): 204.65
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 7.63
Polar Surface Area: 132 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 249.2±5.0 cm3

Click to predict properties on the Chemicalize site


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