Table 3.
Unfilled methacrylate prediction for %TVC.
| Structure | Exp. | Calc.a | Calc.b | Calc.c | Calc.d | Calc.e |
|---|---|---|---|---|---|---|
| Methyl | −21.0 | −21.8 | −20.8 | −21.1 | −21.0 | −20.9 |
| Ethyl | −18.8 | −20.1 | −18.7 | −18.5 | −18.4 | −18.4 |
| Propyl | −14.9 | −15.2 | −16.4 | −16.1 | −16.1 | −16.2 |
| Butyl | −15.7 | −14.2 | −14.4 | −14.4 | −14.5 | −14.6 |
| Hexyl | −12.9 | −12.4 | −11.7 | −12.1 | −12.2 | −12.2 |
| Octyl | −9.1 | −11.2 | −10.1 | −10.6 | −10.7 | −10.7 |
| C12 | −8.4 | −9.1 | −8.7 | −8.8 | −8.8 | −8.7 |
| C13 | −8.9 | −8.5 | −8.5 | −8.5 | −8.4 | −8.4 |
| C16 | −8.1 | −7.1 | −8.2 | −7.7 | −7.6 | −7.5 |
| Isopropyl | −19.7 | −19.1 | – | – | – | – |
| Isobutyl | −19.3 | −17.5 | – | – | – | – |
| Tert-butyl | −16.3 | −18.0 | – | – | – | – |
| 2-epoxypropyl | −20.2 | −18.1 | – | – | – | – |
| Tetrahydropyranylmethyl | −12.8 | −13.6 | – | – | – | – |
| Tetrahydropyranyl | −16.4 | −15.3 | – | – | – | – |
| Isobornyl | −10.1 | −10.8 | – | – | – | – |
| Tetrahydrofurfuryl | −14.7 | −15.3 | – | – | – | – |
a
Eq. 10 statistics include R2=0.919, R2adj=0.907, R2CV=0.887, F=79.3, RMSE=1.2, s2=1.8, t-test >4, VIF=1.3, p significance ≤ 0.005.
b
Eq. 11 statistics include R2=0.964, R2adj=0. 959, R2CV=0.950, F=186.6, RMSE=0.9, s2=1.0, t-test >4, p significance ≤ 0.005.
c
Eq. 12 statistics include R2=0.963, R2adj=0.958, R2CV=0.949, F=183.1, RMSE=0.9, s2=1.0, t-test >4, p significance ≤ 0.005.
d
Eq. 13 statistics include R2=0.963, R2adj=0.958, R2CV=0.948, F=181.5, RMSE=0.9, s2=1.0, t-test >4, p significance ≤ 0.005.
e
Eq. 14 statistics include R2=0.962, R2adj=0.957, R2CV=0.947, F=179.1, RMSE=1.0, s2=1.0, t-test >4, p significance ≤ 0.005.