Table 5.
PS | A | B | C | R 2 | RMSD (%) | Overall RMSD (%) |
---|---|---|---|---|---|---|
EA | 756.93 | −40,177.60 | −110.59 | 0.9993 | 1.96 | |
2-Butanol | −565.49 | 21,632.90 | 85.45 | 0.9991 | 1.42 | |
DMSO | −269.00 | 8184.21 | 41.34 | 0.9977 | 1.62 | |
1-Butanol | −704.53 | 28,585.44 | 105.80 | 0.9999 | 1.16 | |
Ethanol | −509.45 | 20,319.03 | 76.47 | 0.9989 | 1.15 | |
IPA | −464.21 | 18,103.22 | 69.84 | 0.9998 | 0.66 | 0.87 |
Water | −232.41 | 9030.47 | 34.62 | 0.9998 | 0.46 | |
Methanol | −95.77 | 2908.17 | 14.30 | 0.9994 | 0.24 | |
PG | −136.47 | 5194.27 | 20.28 | 0.9997 | 0.21 | |
THP | −303.07 | 12,231.01 | 45.38 | 0.9995 | 0.62 | |
EG | −193.44 | 7911.56 | 28.75 | 0.9999 | 0.51 | |
PEG-400 | −191.99 | 7671.17 | 28.79 | 0.9998 | 0.54 |
b The relative uncertainties ur are ur(A) = 0.60, ur(B) = 0.72 and ur(C) = 0.60.