ChemSpider 2D Image | 3,3-Dinitrobutanal | C4H6N2O5

3,3-Dinitrobutanal

  • Molecular FormulaC4H6N2O5
  • Average mass162.101 Da
  • Monoisotopic mass162.027664 Da
  • ChemSpider ID74839694

More details:

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

3,3-Dinitrobutanal [German] [ACD/IUPAC Name]
3,3-Dinitrobutanal [ACD/IUPAC Name]
3,3-Dinitrobutanal [French] [ACD/IUPAC Name]
Butanal, 3,3-dinitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 239.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 109.3±17.4 °C
Index of Refraction: 1.470
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 104.79
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 104.79
Polar Surface Area: 109 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 117.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement