ChemSpider 2D Image | 2,4,6-Tris(trinitromethyl)-1,3,5-triazine | C6N12O18

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

  • Molecular FormulaC6N12O18
  • Average mass528.134 Da
  • Monoisotopic mass527.945374 Da
  • ChemSpider ID9664224

More details:






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

1,3,5-Triazine, 2,4,6-tris(trinitromethyl)- [ACD/Index Name]
2,4,6-Tris(trinitromethyl)-1,3,5-triazin [German] [ACD/IUPAC Name]
2,4,6-Tris(trinitromethyl)-1,3,5-triazine [ACD/IUPAC Name]
2,4,6-Tris(trinitrométhyl)-1,3,5-triazine [French] [ACD/IUPAC Name]
2,4,6-三(三硝基甲基)-1,3,5-三嗪 [Chinese]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 511.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 30
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 20.79
ACD/LogD (pH 5.5): 12.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 451 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 134.7±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

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