A-PVT 1400742-66-6
| ACD/LogP: | 3.24±0.45 | # of Rule of 5Violations: | 0 |
| ACD/LogD (pH 5.5): | 0.74 | ACD/LogD (pH 7.4): | 2.44 |
| ACD/BCF (pH 5.5): | 1.00 | ACD/BCF (pH 7.4): | 27.14 |
| ACD/KOC (pH 5.5): | 4.35 | ACD/KOC (pH 7.4): | 219.58 |
| #H bond acceptors: | 2 | #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 | Polar Surface Area: | 48.55 Å2 |
| Index of Refraction: | 1.554 | Molar Refractivity: | 68.5±0.3 cm3 |
| Molar Volume: | 213.8±3.0 cm3 | Polarizability: | 27.2±0.5 10-24cm3 |
| Surface Tension: | 43.5±3.0 dyne/cm | Density: | 1.1±0.1 g/cm3 |
| Flash Point: | 170.9±22.3 °C | Enthalpy of Vaporization: | 60.5±3.0 kJ/mol |
| Boiling Point: | 359.0±22.0 °C at 760 mmHg | Vapour Pressure: | 0.0±0.8 mmHg at 25°C |
