Table 4.
Average diffusion coefficient (10−10 m2/s) of DIPA, three internal references, solvents and r2 and FW prediction differences in four solvents.
| entry | TOL | CyHex | CDCl3 | CD2Cl2 | |
|---|---|---|---|---|---|
| 1 | Da (BEN) | 22.41 | 17.51 | 22.82 | 31.81 |
| 2 | Da (COE) | 17.88 | 12.55 | 16.68 | 22.09 |
| 3 | Da (TDE) | 13.33 | 8.78 | 12.48 | 15.06 |
| 4 | Da (DIPA) | 19.12 | 13.89 | 17.69 | 23.90 |
| 5 | D average of solvent | 19.66 | 20.66 | 23.23 | 34.52 |
| 6 | r2 average | 0.980 | 0.983 | 0.948 | 0.964 |
| 7 | FW diff. (%) | 4.9 | 1.6 | 10.6 | 7.3 |
D represents average diffusion coefficient for the molecule at all concentrations.