1,2,2-Trinitro-1,3,5-triazinane C3H6N6O6 structure

Flashcard maker : Alexandra Robertson

Molecular Formula C3H6N6O6
Average mass 222.116 Da
Density 1.9±0.1 g/cm3
Boiling Point 595.9±50.0 °C at 760 mmHg
Flash Point 314.2±30.1 °C
Molar Refractivity 43.2±0.4 cm3
Polarizability 17.1±0.5 10-24cm3
Surface Tension 97.3±5.0 dyne/cm
Molar Volume 119.8±5.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

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

Density: 1.9±0.1 g/cm3
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 43.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 51.80
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.12
Polar Surface Area: 165 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 97.3±5.0 dyne/cm
Molar Volume: 119.8±5.0 cm3

Click to predict properties on the Chemicalize site

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