Table 5.
Group contribution of vinyl caprolactam using the Hoftyzer–Van Krevelen method
| Structure group | No. | Fdi (MJ/m3)½ mol−1 | Fpi (MJ/m3)½ mol−1 | Ehi (J/mol) | V (cm3 mol−1) |
|---|---|---|---|---|---|
| >N– | 1 | 20 | 800 | 5000 | −9 |
| –CO– | 1 | 290 | 770 | 2000 | 10.8 |
| =CH– | 1 | 200 | 0 | 0 | 13.5 |
| =CH2 | 1 | 400 | 0 | 0 | 28.5 |
| –CH2– | 5 | 270 | 0 | 0 | 16.1 |
| Ring | 1 | 190 | --- | --- | 16 |