ChemSpider 2D Image | 4,4-Dinitro-2-pentanone | C5H8N2O5

4,4-Dinitro-2-pentanone

  • Molecular FormulaC5H8N2O5
  • Average mass176.127 Da
  • Monoisotopic mass176.043320 Da
  • ChemSpider ID57501111

More details:

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

2-Pentanone, 4,4-dinitro- [ACD/Index Name]
4,4-Dinitro-2-pentanon [German] [ACD/IUPAC Name]
4,4-Dinitro-2-pentanone [ACD/IUPAC Name]
4,4-Dinitro-2-pentanone [French] [ACD/IUPAC Name]
4,4-Dinitropentan-2-one
62116-35-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 270.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 126.0±17.4 °C
Index of Refraction: 1.469
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 105.67
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 105.67
Polar Surface Area: 109 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


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