Table 2. BDE Values of C–O and C–C Bondsa.
| no. | chemical groups | bond | BDE (kcal/mol) |
|---|---|---|---|
| 1 | phenolic hydroxyl | Ph–OHa | 115.04 |
| 2 | ester 1 | Ph–(CO)OCH3 | 112.15 |
| 2 | ester 1 | Ph(CO)–OCH3 | 102.51 |
| 2 | ester 1 | Ph(CO)O–CH3 | 88.94 |
| 3 | carboxyl | Ph–(CO)OH | 112.70 |
| 3 | carboxyl | Ph(CO)–OH | 111.14 |
| 4 | hydroxyl | C4H5O–OH | 112.91 |
| 5 | ester 2 | CH3–OC(O)OH | 89.32 |
| 5 | ester 2 | CH3O–C(O)OH | 105.36 |
| 5 | ester 2 | CH3OC(O)–OH | 113.39 |
Ph represents phenyl.