Table 4.
Experimental and calculated values of the specific rate constant for the reaction of nucleophilic addition of thiols (log k) to the exocyclic double bond of the studied 2-furylethylenes
| Number | Experimental | TIs | Total moments |
QC | Local moments |
Linear indices |
|---|---|---|---|---|---|---|
| 1 | 6.591 | 7.532 | 6.281 | 6.780 | 6.679 | 6.441 |
| 2 | 6.518 | 6.983 | 5.583 | 6.646 | 6.563 | 6.540 |
| 3 | 6.914 | 6.352 | 6.893 | 7.021 | 6.979 | 7.075 |
| 4 | 6.982 | 6.997 | 6.554 | 6.935 | 7.069 | 7.015 |
| 5 | 7.176 | 6.750 | 7.390 | 7.137 | 7.291 | 7.188 |
| 6 | 7.602 | 6.685 | 7.410 | 7.466 | 7.572 | 7.589 |
| 7 | 5.255 | 5.533 | 5.002 | 5.212 | 4.934 | 5.063 |
| 8 | 6.763 | 4.965 | 5.962 | 6.737 | 6.662 | 6.353 |
| 9 | 5.623 | 4.997 | 4.839 | 5.454 | 5.599 | 5.292 |
| 10 | 3.813 | 4.831 | 4.455 | 3.695 | 4.318 | 4.468 |
| 11 | 3.840 | 3.636 | 4.876 | 3.616 | 4.034 | 4.005 |
| 12 | 3.874 | 4.162 | 2.911 | 3.537 | 3.448 | 3.610 |
| 13 | 3.825 | 3.916 | 4.255 | 3.562 | 3.875 | 3.722 |
| 14 | 3.623 | 3.798 | 4.032 | 3.550 | 3.841 | 3.698 |
| 15 | 3.751 | 3.528 | 3.255 | 3.522 | 3.721 | 3.461 |
| 16 | 3.784 | 3.114 | 3.437 | 3.566 | 3.842 | 3.693 |
| 17 | 3.697 | 4.175 | 3.468 | 3.570 | 3.826 | 3.684 |
| 18 | 3.705 | 3.934 | 3.157 | 3.541 | 3.711 | 3.443 |
| 19 | 3.697 | 3.264 | 3.686 | 3.482 | 3.798 | 3.227 |
| 20 | 3.650 | 3.526 | 4.269 | 3.581 | 3.851 | 3.683 |
| 21 | 4.000 | 3.693 | 5.184 | 3.985 | 3.735 | 4.259 |
| 22 | 3.920 | 3.974 | 4.202 | 3.920 | 3.617 | 3.993 |
| 23 | 3.790 | 3.856 | 4.409 | 3.926 | 3.596 | 3.970 |
| 24 | 3.763 | 3.869 | 3.438 | 3.849 | 3.552 | 3.749 |
| 25 | 3.623 | 3.172 | 3.893 | 3.921 | 3.600 | 3.965 |
| 26 | 3.650 | 4.233 | 4.178 | 3.917 | 3.610 | 3.957 |
| 27 | 3.592 | 4.193 | 3.613 | 3.873 | 3.566 | 3.732 |
| 28 | 3.584 | 4.059 | 3.596 | 3.819 | 3.881 | 3.532 |
| 29 | 3.590 | 3.478 | 3.204 | 3.918 | 3.600 | 3.968 |
| 30 | 2.987 | 3.463 | 3.534 | 3.281 | 2.785 | 2.997 |
| 31 | 3.273 | 3.070 | 3.779 | 4.089 | 3.651 | 3.370 |
| 32 | 2.140 | 3.070 | 2.794 | 2.287 | 2.751 | 1.941 |
| 33 | 3.553 | 3.780 | 2.716 | 3.338 | 3.485 | 3.558 |
| 34 | 5.557 | 5.114 | 5.474 | 4.969 | 5.524 | 5.465 |