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organized name1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione
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recommendations speculative Physico-chemical properties predicted Physico-chemical nature assorted Gas chromatography
| Density: | 1.5±0.1 g/cm3 |
| Boiling Point: | 416.8±37.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.0 mmHg in ~ 25°C |
| Enthalpy that Vaporization: | 67.0±3.0 kJ/mol |
| Flash Point: | 205.9±26.5 °C |
| Index the Refraction: | 1.679 |
| Molar Refractivity: | 50.4±0.5 cm3 |
| #H shortcut acceptors: | 6 |
| #H shortcut donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule the 5 Violations: | 0 |
| ACD/LogP: | -0.13 |
| ACD/LogD (pH 5.5): | 0.28 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 34.00 |
| ACD/LogD (pH 7.4): | 0.28 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 34.00 |
| Polar surface ar Area: | 58 Å2 |
| Polarizability: | 20.0±0.5 10-24cm3 |
| Surface Tension: | 55.8±7.0 dyne/cm |
| Molar Volume: | 133.4±7.0 cm3 |
Predicted data is created using the US environmental Protection Agency’s EPISuite™
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