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