Computed and experimentally reported solubilities for some drugs in different solvents all which are able to form solvates. Table S1. Solubilities are given as common logarithm of the mole fraction. A solubility of log10(x),exp=0 means complete solubility in that solvent. The free energy of fusion has been obtained according to: T . Gfus=Hfus Sfus – drug solvent/solvate log10(x),exp log10(x),CRS Tm[K] comment carbamazepine THF(1) - -1.74 6.1(4) -1.97(2) 463(3) carbamazepine dioxane(5) - -1.60 6.1 -1.65(6) 463 carbamazepine - -1.22 6.1 DMSO(5) -1.74(7) 463 furosemide solid not characterized -1.92 11.6(9) acetone(8) -3.32(9) 534(9) furosemide - 0.0 11.6 DMSO(10) -1.85(11) 534 indomethacin -2.38(13) - -2.13 8.2(14) ethanol(12) 431(14) lamotrigine -2.50(16) -1.14 7.7 estimated by QSPR DMF(15) 489(17) Hfus - lamotrigine -3.09(19) -2.43 7.7 ethanol(18) 489 - lamotrigine -2.03 7.7 methanol(20) -3.08(19) 489 lamotrigine - -2.19 7.7 acetone(18) -2.91(19) 489 paracetamol dioxane(21) -1.77(22) - -1.22 6.6(9) 443(9) paracetamol pyridine(23) - 0.0 6.6 -0.54(24) 443 sulfapyridine dioxane(25) - -2.30 8.2(27) -3.47(26) 464(27)
Table S1. Computed and experimentally reported solubilities for some drugs in different solvents all which are able to form solvates. Solubilities are given as common logarithm of the mole fraction. A solubility of log10(x),exp=0 means complete solubility in that solvent. The free energy of fusion has been obtained according to: Gfus=Hfus – T Sfus . drug solvent/solvate log10(x),exp log10(x),CRS Tm[K] comment carbamazepine THF(1) -1.97(2) -1.74 463(3) 6.1(4) - carbamazepine dioxane(5) -1.65(6) -1.60 463 6.1 - carbamazepine DMSO(5) -1.74(7) -1.22 463 6.1 - furosemide acetone(8) -3.32(9) -1.92 534(9) 11.6(9) solid not characterized furosemide DMSO(10) -1.85(11) 0.0 534 11.6 - indomethacin ethanol(12) -2.38(13) -2.13 431(14) 8.2(14) - lamotrigine DMF(15) -2.50(16) -1.14 489(17) 7.7 Hfus estimated by QSPR lamotrigine ethanol(18) -3.09(19) -2.43 489 7.7 - lamotrigine methanol(20) -3.08(19) -2.03 489 7.7 - lamotrigine acetone(18) -2.91(19) -2.19 489 7.7 - paracetamol dioxane(21) -1.77(22) -1.22 443(9) 6.6(9) - paracetamol pyridine(23) -0.54(24) 0.0 443 6.6 - sulfapyridine dioxane(25) -3.47(26) -2.30 464(27) 8.2(27) -
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