1-(4-Bromophenyl)-2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethanone C16H12BrN3O structure – Flashcards
Flashcard maker : Ashlynn Thompson
| Molecular Formula | C16H12BrN3O |
| Average mass | 342.190 Da |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 536.3±60.0 °C at 760 mmHg |
| Flash Point | 278.1±32.9 °C |
| Molar Refractivity | 87.1±0.5 cm3 |
| Polarizability | 34.5±0.5 10-24cm3 |
| Surface Tension | 52.1±7.0 dyne/cm |
| Molar Volume | 234.7±7.0 cm3 |
- Predicted – ACD/Labs
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.5±0.1 g/cm3 |
| Boiling Point: | 536.3±60.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 81.3±3.0 kJ/mol |
| Flash Point: | 278.1±32.9 °C |
| Index of Refraction: | 1.664 |
| Molar Refractivity: | 87.1±0.5 cm3 |
| #H bond acceptors: | 4 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.61 |
| ACD/LogD (pH 5.5): | 3.31 |
| ACD/BCF (pH 5.5): | 191.50 |
| ACD/KOC (pH 5.5): | 1496.87 |
| ACD/LogD (pH 7.4): | 3.31 |
| ACD/BCF (pH 7.4): | 191.50 |
| ACD/KOC (pH 7.4): | 1496.87 |
| Polar Surface Area: | 48 Å2 |
| Polarizability: | 34.5±0.5 10-24cm3 |
| Surface Tension: | 52.1±7.0 dyne/cm |
| Molar Volume: | 234.7±7.0 cm3 |
Click to predict properties on the Chemicalize site
