ChemSpider 2D Image | 1-Isocyanato-3,3-dinitrobutane | C5H7N3O5

1-Isocyanato-3,3-dinitrobutane

  • Molecular FormulaC5H7N3O5
  • Average mass189.126 Da
  • Monoisotopic mass189.038574 Da
  • ChemSpider ID63001530

More details:

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

1-Isocyanato-3,3-dinitrobutan [German] [ACD/IUPAC Name]
1-Isocyanato-3,3-dinitrobutane [ACD/IUPAC Name]
1-Isocyanato-3,3-dinitrobutane [French] [ACD/IUPAC Name]
Butane, 1-isocyanato-3,3-dinitro- [ACD/Index Name]
29291-65-4 [RN]
3,3-dinitrobutyl isocyanate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 274.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 120.0±24.6 °C
Index of Refraction: 1.544
Molar Refractivity: 41.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.63
ACD/KOC (pH 5.5): 421.79
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.63
ACD/KOC (pH 7.4): 421.79
Polar Surface Area: 121 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 130.3±7.0 cm3

Click to predict properties on the Chemicalize site


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