ChemSpider 2D Image | 2,4,6-Tris(nitromethyl)-1,3,5-triazine | C6H6N6O6

2,4,6-Tris(nitromethyl)-1,3,5-triazine

  • Molecular FormulaC6H6N6O6
  • Average mass258.148 Da
  • Monoisotopic mass258.034882 Da
  • ChemSpider ID67170315

More details:

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

1,3,5-Triazine, 2,4,6-tris(nitromethyl)- [ACD/Index Name]
2,4,6-Tris(nitromethyl)-1,3,5-triazin [German] [ACD/IUPAC Name]
2,4,6-Tris(nitromethyl)-1,3,5-triazine [ACD/IUPAC Name]
2,4,6-Tris(nitrométhyl)-1,3,5-triazine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 580.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -3.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 85.7±3.0 dyne/cm
Molar Volume: 156.4±3.0 cm3

Click to predict properties on the Chemicalize site


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