Table 3. Family Linear Fits for Experimental and Predicted EACN Versus Number of Carbon Atoms n.
| family | exp. fita | exp. R2 | GM fitb | GM R2 | NN fitc | NN R2 | EACNexp(10)d |
|---|---|---|---|---|---|---|---|
| n-alkylcyclohexanes | 1.28n–5.7 (7) | 1 | 1.25n–5.6 (6) | 1 | 1.19n–4.5 | 1 | 7.3 |
| alk-1-enes | 1.05n–4.6 (4) | 1 | 1.06n–4.7 (9) | 1 | 1.16n–5.6 | 1 | 6.4 |
| central ethers | 0.92n–4.9 (5) | 0.99 | 0.89n–4.5 (8) | 1 | 0.98n–5.5 | 1 | 4.9 |
| 1-chloroalkanes | 1.07n–7.1 (4) | 1 | 1.03n–6.6 (9) | 1 | 0.84n–4.2 | 0.99 | 3.9 |
| ethyl n-alkanoates | 0.78n–7.2 (4) | 1 | 0.77n–7.2 (9) | 0.99 | 1.13n–11.8 | 1 | 0.8 |
| alk-1-ynes | 0.95n–9.4 (4) | 1 | 0.93n–9.1 (9) | 1 | 0.70n–6.6 | 0.98 | 0.6 |
| n-alkylbenzenes | 0.93n–8.9 (4) | 1 | 1.05n–10.6 (9) | 0.99 | 0.98n–9.7 | 0.99 | 0.1 |
| nitriles | 0.53n–5.9 (3) | 0.99 | 0.62n–6.9 (10) | 0.98 | 0.64n–6.9 | 1 | –0.9 |
| n-alkan-2-ones | 0.70n–9.1 (4) | 1 | 0.66n–8.5 (9) | 0.99 | 1.11n–11.8 | 0.98 | –2.1 |
a
In brackets, number of points used for the experimental fits.
b
In brackets, number of points used for the GM fits.
c
Number of points used is the same as for the GM fits.
d
EACNexp calculated with n = 10.