Aspirin-d4 C9H4D4O4 structure – Flashcards
Flashcard maker : Sean Hill
| Molecular Formula | C9H4D4O4 |
| Average mass | 184.182 Da |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 321.4±25.0 °C at 760 mmHg |
| Flash Point | 131.2±16.7 °C |
| Molar Refractivity | 44.5±0.3 cm3 |
| Polarizability | 17.7±0.5 10-24cm3 |
| Surface Tension | 49.9±3.0 dyne/cm |
| Molar Volume | 139.6±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.3±0.1 g/cm3 |
| Boiling Point: | 321.4±25.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.7 mmHg at 25°C |
| Enthalpy of Vaporization: | 59.5±3.0 kJ/mol |
| Flash Point: | 131.2±16.7 °C |
| Index of Refraction: | 1.551 |
| Molar Refractivity: | 44.5±0.3 cm3 |
| #H bond acceptors: | 4 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.19 |
| ACD/LogD (pH 5.5): | -0.60 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.39 |
| ACD/LogD (pH 7.4): | -1.69 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 64 Å2 |
| Polarizability: | 17.7±0.5 10-24cm3 |
| Surface Tension: | 49.9±3.0 dyne/cm |
| Molar Volume: | 139.6±3.0 cm3 |
Click to predict properties on the Chemicalize site
