Step Considerations Constraints Remaining Solvents
1 COSMO-RS database - 11957
2 Solubility at 25 °C \(\log S_{R1}>-1\), \(\log S_{R2}>-1\), \(\log S_{P2}<-1\) 2159
3 Solubility selectivity at 25 °C \(\log S_{P2-R1}<-1\ \), \(\log S_{P2-R2}<-1\) 1833
4 \(\text{Log}S_{P2}\) variation with different temperatures (65 °C, 25 °C) \(\log S_{P2}^{65}>-1.5\), , \(\log S_{P2}^{65}-\log S_{P2}^{25}>-0.5\) 356
5 Benchmark solvents ethanol, DMSO, water 37
6
Chemical and physical properties, commercial availability
reactivity, melting point & boiling point, low price
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