ChemSpider 2D Image | 2,3-Dinitro-4-(nitrooxy)-2,3-bis[(nitrooxy)methyl]butyl nitrate | C6H8N6O16

2,3-Dinitro-4-(nitrooxy)-2,3-bis[(nitrooxy)methyl]butyl nitrate

  • Molecular FormulaC6H8N6O16
  • Average mass420.158 Da
  • Monoisotopic mass419.999664 Da
  • ChemSpider ID21402962

More details:






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

1,4-Butanediol, 2,3-dinitro-2,3-bis[(nitrooxy)methyl]-, dinitrate (ester) [ACD/Index Name]
2,3-Dinitro-4-(nitrooxy)-2,3-bis[(nitrooxy)methyl]butyl nitrate [ACD/IUPAC Name]
2,3-Dinitro-4-(nitrooxy)-2,3-bis[(nitrooxy)methyl]butylnitrat [German] [ACD/IUPAC Name]
Nitrate de 2,3-dinitro-4-(nitrooxy)-2,3-bis[(nitrooxy)méthyl]butyle [French] [ACD/IUPAC Name]
2,3-bis(nitroxymethyl)-2,3-dinitrobutane-1,4-diol dinitrate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 515.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 225.8±32.1 °C
Index of Refraction: 1.547
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 22
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 12.38
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14234.97
ACD/KOC (pH 5.5): 32700.94
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14234.97
ACD/KOC (pH 7.4): 32700.94
Polar Surface Area: 312 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

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