Tri-tert-butyl 2,2′,2”-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate C26H50N4O6 structure – Flashcards
Flashcard maker : Richard Molina
| Molecular Formula | C26H50N4O6 |
| Average mass | 514.698 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 561.6±50.0 °C at 760 mmHg |
| Flash Point | 293.4±30.1 °C |
| Molar Refractivity | 139.7±0.3 cm3 |
| Polarizability | 55.4±0.5 10-24cm3 |
| Surface Tension | 33.9±3.0 dyne/cm |
| Molar Volume | 503.5±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 561.6±50.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 84.4±3.0 kJ/mol |
| Flash Point: | 293.4±30.1 °C |
| Index of Refraction: | 1.467 |
| Molar Refractivity: | 139.7±0.3 cm3 |
| #H bond acceptors: | 10 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 12 |
| #Rule of 5 Violations: | 2 |
| ACD/LogP: | 4.21 |
| ACD/LogD (pH 5.5): | 0.57 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 2.07 |
| ACD/LogD (pH 7.4): | 2.39 |
| ACD/BCF (pH 7.4): | 20.16 |
| ACD/KOC (pH 7.4): | 137.53 |
| Polar Surface Area: | 101 Å2 |
| Polarizability: | 55.4±0.5 10-24cm3 |
| Surface Tension: | 33.9±3.0 dyne/cm |
| Molar Volume: | 503.5±3.0 cm3 |
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