Table 2.
Refractive index at 293 K (n), Abraham’s hydrogen bond acidity (α), Abraham’s hydrogen bond basicity (β), macroscopic surface tension at liquid-air interface at 298 K (γ), and dielectric constant at 298 K (ε), used for SMD calculations.
| Solvent | n | α | β | γ | ε |
|---|---|---|---|---|---|
| DMSO | 1.4783 | 0.00 | 0.88 | 61.78 | 46.826 |
| DMF | 1.4305 | 0.00 | 0.74 | 49.56 | 37.219 |
| Methanol | 1.3288 | 0.43 | 0.47 | 31.77 | 32.613 |
| Ethanol | 1.3611 | 0.37 | 0.48 | 31.62 | 24.852 |
| Acetone | 1.3588 | 0.04 | 0.49 | 33.77 | 20.493 |
| 2-propanol | 1.3776 | 0.33 | 0.56 | 30.13 | 19.264 |
| 1-Butanol | 1.3993 | 0.37 | 0.48 | 35.88 | 17.332 |
| 1-Hexanol | 1.4178 | 0.37 | 0.48 | 37.15 | 12.510 |
| Dichloromethane | 1.4242 | 0.10 | 0.05 | 39.15 | 8.930 |
| Diethyl ether | 1.3526 | 0.00 | 0.41 | 23.96 | 4.240 |
| Benzene | 1.5011 | 0.00 | 0.14 | 40.62 | 2.271 |
| 1,4-Dioxane | 1.4224 | 0.00 | 0.64 | 47.14 | 2.210 |
| Cyclohexane | 1.4266 | 0.00 | 0.00 | 35.48 | 2.016 |