Table II.
Flohé et al. [26] (H2O2) |
Günzler et al. [34] |
Forstrom et al. [36] |
||||||||
---|---|---|---|---|---|---|---|---|---|---|
(EthOOH) |
(CumOOH) |
(tBuOOH) |
(CumOOH) Value |
(LinOOH) Value |
||||||
Parameter | Value | (S)* | Value | (S) | Value | (S) | Value | (S) | ||
k1f (M−1 s−1) | 6.7 × 107 | 0.47 | 3.7 × 107 | 0.57 | 1.5 × 107 | 0.64 | 6.2 × 106 | 0.59 | 5.5 × 106 | 2.11 × 107 |
k1r (s−1) | 1 × 10−4 | 1 × 10−4 | 1 × 10−4 | 4 × 10−5 | 1 × 10−4 | 1 × 10−5 | 1 × 10−4 | 8 × 10−4 | 1 × 10−4 | 1 × 10−4 |
k2f (M−1 s−1) | 1.4 × 108 | 0.15 | 1.3 × 108 | 0.17 | 1.25 × 108 | 0.15 | 1.2 × 108 | 0.18 | 6.4 × 107 | 8.4 × 107 |
k2r (s−1) | 1 × 10−4 | 1 × 10−4 | 1 × 10−4 | 4 × 10−5 | 1 × 10−4 | 1 × 10−5 | 1 × 10−4 | 6 × 10−6 | 1 × 10−4 | 1 × 10−4 |
k3f (M−1 s−1) | 1.0 × 108 | 0.22 | 9.6 × 107 | 0.24 | 9.8 × 107 | 0.2 | 1.0 × 108 | 0.21 | 7 × 106 | 7.4 × 106 |
k3r (s−1)a | 1.7 × 10−3 | N/A | 8 × 10−4 | N/A | 3 × 10−4 | N/A | 1.3 × 10−4 | N/A | 5 × 10−6 | 2.9 × 10−5 |
k4f (s−1) | 7.5 × 104 | 0.15 | 7.5 × 104 | 6 × 10−3 | 7.5 × 104 | 5 × 10−3 | 7.5 × 104 | 2 × 10−3 | 7.5 × 104 | 7.5 × 104 |
k4r (M−1 s−1)b | 4.1 × 102 | N/A | 4.1 × 102 | N/A | 4.1 × 102 | N/A | 4.1 × 102 | N/A | 4.1 × 102 | 4.1 × 102 |
KH (M) | 1.5 × 10−9 | N/A | 1.5 × 10−9 | N/A | 1.5 × 10−9 | N/A | 1.5 × 10−9 | N/A | 1.5 × 10−9 | 1.5 × 10−9 |
Keq (M−2) | 1.0 × 1037 | N/A | 1.0 × 1037 | N/A | 1.0 × 1037 | N/A | 1.0 × 1037 | N/A | 8.2 × 1036 | 8.2 × 1036 |
N/A: Not applicable as they are fixed parameters.
(S)-Sensitivity.
Parameter was calculated based on the thermodynamic constraint.
Indicates unidentifiable parameters for the respective data sets due to the absence of product inhibition data and fixed at a random value.