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. 2021 Sep 21;6(39):25772–25781. doi: 10.1021/acsomega.1c03866

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
a

Ph represents phenyl.