Table 2.
Correlations of log k vs. various combinations of Y, NOTs and I parameters for the solvolyses of 1 to 5 at 25.00 °C.
| Substrate | m±s(m) (%SL)a | l±s(l) (%SL)a | h±s(h) (%SL)a | c±s(c) (%SL)a | sdfitb | R2adjc | Fd | ne | eq. |
|---|---|---|---|---|---|---|---|---|---|
| 1 | 0.79 ± 0.05
100% |
— | — | −6.88 ± 0.11
100% |
0.315 | 0.934 | 271 | 1 | |
| 1 | 0.84 ± 0.02
100% |
0.39 ± 0.04
100% |
— | −6.75 ± 0.05
100% |
0.129 | 0.989 | 854 | 20 | 2 |
| 1 | 0.70 ± 0.03
100% |
— | −0.92 ± 0.13
100% |
−6.71 ± 0.06 | 0.164 | 0.982 | 521 | 4 | |
| 1
|
0.78 ± 0.03 100% |
0.26 ± 0.04 100% |
−0.45 ± 0.10 100% |
−6.71 ± 0.03 100% |
0.088 |
0.995 |
1240 |
3 |
|
| 2 | 0.69 ± 0.04
100% |
— | — | −1.72 ± 0.07
100% |
0.264 | 0.936 | 219 | 1 | |
| 2 | 0.68 ± 0.05
100% |
−0.04 ± 0.10
33% |
— | −1.74 ± 0.08
100% |
0.272 | 0.932 | 104 | 16 | 2 |
| 2 |
0.71 ± 0.04 100% |
— |
0.52 ± 0.18 99% |
−1.78 ± 0.06 100% |
0.214 | 0.958 | 172 | 4 | |
| 2
|
0.75 ± 0.05
100% |
0.14±0.09
86% |
0.72 ± 0.21
99% |
−1.75 ± 0.06
100% |
0.203
|
0.962
|
128
|
3 |
|
| 3 | 0.57 ± 0.04
100% |
— | — | −4.22 ± 0.06
100% |
0.217 | 0.936 | 236 | 1 | |
| 3 | 0.63 ± 0.02
100% |
0.26 ± 0.03
100% |
— | −4.14 ± 0.03
100% |
0.094 | 0.988 | 654 | 17 | 2 |
| 3 | 0.54 ± 0.02
100% |
— | −0.57 ± 0.12
100% |
−4.15 ± 0.04
100% |
0.139 | 0.974 | 298 | 4 | |
| 3
|
0.60 ± 0.02 100% |
0.20 ± 0.04 100% |
−0.24 ± 0.09 97% |
−4.13 ± 0.03 100% |
0.080 |
0.991 |
607 |
3 |
|
| 4 | 0.79 ± 0.02
100% |
— | — | −3.28 ± 0.05
100% |
0.150 | 0.991 | 1622 | 1 | |
| 4 | 0.80 ± 0.02
100% |
— | — | −3.27 ± 0.04
100% |
0.128 | 0.994 | 2173f | 1 | |
| 4 | 0.81 ± 0.02
100% |
0.15 ± 0.05
99% |
— | −3.25 ± 0.04
100% |
0.116 | 0.995 | 1357 | 2 | |
| 4 | 0.82 ± 0.01
100% |
0.63 ± 0.20
99% |
— | −3.17 ± 0.04
100% |
0.097 | 0.997 | 1920f | 15 | 2 |
| 4 | 0.79 ± 0.02
100% |
— | −0.01 ± 0.17
6% |
−3.28 ± 0.05
100% |
0.156 | 0.991 | 749 | 4 | |
| 4 |
0.85 ± 0.02 100% |
— |
0.58 ± 0.15 100% |
−3.27 ± 0.03 100% |
0.087 | 0.997 | 2356f | 4 | |
| 4 | 0.84 ± 0.02
100% |
0.25 ± 0.05
100% |
0.42 ± 0.12
99% |
−3.24 ± 0.03
100% |
0.084 | 0.997 | 1709 | 3 | |
| 4
|
0.84 ± 0.05
100% |
0.24 ± 0.28
58% |
0.42 ± 0.24
89% |
−3.24 ± 0.05
100% |
0.088
|
0.997
|
1532f |
3 |
|
| 5 | 0.65 ±0.05
100% |
— | — | −4.89 ± 0.10
100% |
0.324 | 0.910 | 163 | 1 | |
| 5 | 0.83 ±0.04
100% |
0.32 ± 0.05
100% |
— | −4.85 ± 0.05
100% |
0.165 | 0.977 | 335 | 17 | 2 |
| 5 | 0.69 ± 0.03
100% |
— | −0.79 ± 0.14
100% |
−4.85 ± 0.06
100% |
0.180 | 0.972 | 279 | 4 | |
| 5 |
0.79 ± 0.03 100% |
0.20 ± 0.05 100% |
−0.44 ± 0.13 100% |
−4.84 ± 0.04 100% |
0.124 | 0.987 | 403 | 3 |
a
Significance level.
b
Standard deviation of the fit.
c
Adjusted determination coefficient.
d
F statistics.
e
Number of solvents included in the correlation.
f
Correlation performed on 14 solvents without the value for 97% TFE.