ChemSpider 2D Image | 5-Hydroxy-4,4-dinitropentanenitrile | C5H7N3O5

5-Hydroxy-4,4-dinitropentanenitrile

  • Molecular FormulaC5H7N3O5
  • Average mass189.126 Da
  • Monoisotopic mass189.038574 Da
  • ChemSpider ID110515538

More details:






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

5-Hydroxy-4,4-dinitropentanenitrile [ACD/IUPAC Name]
5-Hydroxy-4,4-dinitropentanenitrile [French] [ACD/IUPAC Name]
5-Hydroxy-4,4-dinitropentannitril [German] [ACD/IUPAC Name]
Pentanenitrile, 5-hydroxy-4,4-dinitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 376.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.2±6.0 kJ/mol
Flash Point: 181.3±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 38.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 61.22
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 61.22
Polar Surface Area: 136 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 127.6±3.0 cm3

Click to predict properties on the Chemicalize site






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