URB447 1132922-57-6
| ACD/LogP: | 5.95±1.23 | # of Rule of 5Violations: | 1 |
| ACD/LogD (pH 5.5): | 5.95 | ACD/LogD (pH 7.4): | 5.95 |
| ACD/BCF (pH 5.5): | 19648.19 | ACD/BCF (pH 7.4): | 19648.99 |
| ACD/KOC (pH 5.5): | 41185.26 | ACD/KOC (pH 7.4): | 41186.93 |
| #H bond acceptors: | 3 | #H bond donors: | 2 |
| #Freely Rotating Bonds: | 6 | Polar Surface Area: | 48.02 Å2 |
| Index of Refraction: | 1.629 | Molar Refractivity: | 118.7±0.5 cm3 |
| Molar Volume: | 334.1±7.0 cm3 | Polarizability: | 47.1±0.5 10-24cm3 |
| Surface Tension: | 45.7±7.0 dyne/cm | Density: | 1.2±0.1 g/cm3 |
| Flash Point: | 297.7±30.1 °C | Enthalpy of Vaporization: | 85.3±3.0 kJ/mol |
| Boiling Point: | 568.6±50.0 °C at 760 mmHg | Vapour Pressure: | 0.0±1.6 mmHg at 25°C |
