Table 1.
Solvents | AM | VHM | BKM | |||||||
---|---|---|---|---|---|---|---|---|---|---|
A | B | C | RMSD*10−4 | a | b | RMSD*10−4 | λ *10−2 | h*10−3 | RMSD*10−4 | |
Water | −374.54 | 14,006.70 | 55.25 | 0.001 | −2.72 | −2997.05 | 0.001 | 0.003 | 81,500 | 0.001 |
Methanol | 490.45 | −26,827.80 | −72.07 | 0.032 | 5.46 | −4646.29 | 0.013 | 0.294 | 1552.96 | 0.014 |
Ethanol | 787.98 | −41,435.30 | −115.39 | 0.189 | 11.44 | −5922.71 | 0.276 | 5.973 | 99.60 | 0.291 |
1-Propanol | 273.94 | −14,746.60 | −40.67 | 0.132 | 0.25 | −2229.99 | 0.163 | 0.298 | 581.15 | 0.187 |
2-Propanol | 205.50 | −13,595.70 | −29.52 | 0.086 | 6.88 | −4512.17 | 0.102 | 1.643 | 268.80 | 0.108 |
1-Butanol | −65.44 | 1399.93 | 9.42 | 0.224 | −2.07 | −1497.91 | 0.108 | 0.061 | 954.68 | 0.111 |
2-Butanol | 841.86 | −43,078.50 | −123.77 | 0.198 | 8.97 | −4988.55 | 0.250 | 4.456 | 110.99 | 0.270 |
Acetonitrile | 120.15 | −7033.34 | −18.25 | 0.138 | −2.66 | −1417.25 | 0.140 | 0.040 | 1349 | 0.157 |
Acetone | −318.55 | 12,641.10 | 47.25 | 0.230 | −0.58 | −1900.52 | 0.241 | 0.225 | 570.21 | 0.233 |
Ethyl acetate | −31.99 | 264.30 | 4.17 | 0.029 | −3.93 | −1018.83 | 0.017 | 0.019 | 1936.12 | 0.026 |
THP | 456.50 | −23,707.90 | −67.25 | 0.620 | 3.92 | −3010.37 | 0.777 | 2.587 | 106.47 | 0.859 |
Overall | 0.171 | 0.190 | 0.205 |
* Relative uncertainties, u(A) = 3.04, u(B) = 4.95, u(C) = 3.07, u(a) = 0.13, u(b) = 0.19, u(λ) = 0.02, u(h) = 3.19.