Table 2 Key information on the investigated mixtures.
From: Estimating the phase diagrams of deep eutectic solvents within an extensive chemical space
Description | Mixture 2996 | Mixture 2650 | Mixture 171 |
|---|---|---|---|
HBA | 1-hexyl-1,3,3-trimethylthiourea | 1,3-diheptyl-1,3-dimethylthiourea | tributylphosphine oxide |
SMILES | S = C(N(CCCCCC)C)N(C)C | S = C(N(CCCCCCC)C)N(C)CCCCCCC | O = P(CCCC)(CCCC)CCCC |
HBD | stearic acid | glycine | erythrose |
SMILES | CCCCCCCCCCCCCCCCCC(O) = O | NCC(O) = O | O = C[C@@H]([C@@H](CO)O)O |
Behavior | Ideal | Positive | Negative |
\({x}_{E}\) ideal | 0.88 | 0.60 | 0.69 |
\({x}_{E}\) real | 0.86 | 0.98 | 0.44 |
\({T}_{E}\) ideal (K) | 306 | 319 | 315 |
\({T}_{E}\) real (K) | 306 | 328 | 253 |
