Table 3.
ΔG≠ (kcal mol−1), λ, κ, kapp, kf, koverall (M−1 s−1) and Γ (%) of the 7OGT + HOO• reaction in the physiological media.
| mechanisms | pentyl ethanoate |
water |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| ΔG≠ | κ | kapp | Γ | ΔG≠ | κ | kapp | f | kbf | Γ | ||
| SET | H2A | 113.2 | 19.7 | 7.10 × 10−71 | 0.0 | 31.1 | 19.0a | 9.60 × 10−11 | 0.207 | 1.99 × 10−11 | 0.0 |
| HA− | 9.0 | 17.1a | 1.40 × 106 | 0.702 | 9.83 × 105 | 0.4 | |||||
| A2− | 4.3 | 18.2a | 2.90 × 109 | 0.091 | 2.64 × 108 | 99.6 | |||||
| FHT | H2A | 14.2 | 59.9 | 1.40 × 104 | 100.0 | 15.8 | 587.0 | 9.60 × 103 | 0.207 | 1.99 × 103 | 0.0 |
| koverall | 1.40 × 104 | 2.65 × 108 | |||||||||
aλ.
bkf = f.kapp; koverall = ∑kf(kapp).