Table 6.
PS | a | b | R 2 | RMSD (%) | Overall RMSD (%) |
---|---|---|---|---|---|
EA | 12.14 | −5976.00 | 0.9972 | 2.39 | |
2-Butanol | 9.92 | −4762.30 | 0.9970 | 1.98 | |
DMSO | 9.36 | −4578.30 | 0.9971 | 1.97 | |
1-Butanol | 7.87 | −4099.30 | 0.9955 | 2.08 | |
Ethanol | 5.50 | −3305.90 | 0.9953 | 1.81 | |
IPA | 6.09 | −3471.60 | 0.9971 | 1.40 | 1.42 |
Water | 0.75 | −1665.80 | 0.9969 | 0.71 | |
Methanol | 0.52 | −1507.20 | 0.9987 | 0.98 | |
PG | 0.11 | −1071.50 | 0.9974 | 1.06 | |
THP | 2.55 | −1790.60 | 0.9952 | 0.93 | |
EG | 0.18 | −972.49 | 0.9942 | 1.07 | |
PEG-400 | 1.88 | −1223.40 | 0.9962 | 0.67 |
c The relative uncertainties ur are ur(a) = 0.90 and ur(b) = 0.59.