Table 5 The δh parameter values of NADES, predicted using Semi- (SEM) (Hans—Hansen’s model (Eq. 17); ψHans-TW—same as Hans, but using the specific energies obtained from FTIR spectrum instead of the constant 5000 cal/mol proposed by Hansen (see more information in Table S.14 and Figure S.1 and S.2) and Empirical models (EM) (StP—Stefanis and Panayiotou; HK—Hoftyzer and Van Krevelen; HKF—Hoftyzer-Van Krevelen and Fedors; Ymt—Yamamoto).
NADES | δh | |||||
|---|---|---|---|---|---|---|
SEM | EM | |||||
Hans | Hans-TWψ | StP | HK | HKF | Ymt | |
Bet:Glc:W (5:2:10) | 107.81 | 103.96 | 23.32 | 20.32 | 22.13 | 13.83 |
Bet:Gly:Suc:W (2:3:1:5) | 92.48 | 89.57 | 35.01 | 24.23 | 26.90 | 15.23 |
Bet:Suc:Pro:W (5:2:2:21) | 159.04 | 153.62 | 32.59 | 22.48 | 24.34 | 16.46 |
Fru:Glc:Suc:W (1:1:1:10) | 127.85 | 123.68 | 50.68 | 31.22 | 36.99 | 22.83 |
Glc:Pro:Gly:W (3:5:3:20) | 181.48 | 174.80 | 29.93 | 25.42 | 28.07 | 20.61 |
Gly:Fru (4:1) | 65.91 | 63.97 | 33.80 | 27.97 | 32.85 | 17.02 |
Gly:Fru:Sorb:W (1:1:1:3) | 82.64 | 80.21 | 42.88 | 30.46 | 36.25 | 20.50 |
Gly:Glc (4:1) | 65.85 | 63.90 | 33.47 | 28.43 | 32.67 | 17.21 |
Gly:Glc:Sorb:W (1:1:1:3) | 82.51 | 79.82 | 42.85 | 31.05 | 36.18 | 20.84 |
Gly:Suc:Sorb:W (2:1:2:10) | 135.47 | 131.05 | 48.96 | 32.05 | 36.33 | 22.22 |
Gly:Tre:Sorb:W (2:1:2:10) | 134.43 | 130.04 | 48.86 | 32.27 | 36.32 | 22.45 |
Pro:Gly:Sorb:W (1:1:1:13) | 153.13 | 148.13 | 50.29 | 33.78 | 37.28 | 25.65 |
Tre:Fru:W (1:2:13) | 146.10 | 141.31 | 49.86 | 31.94 | 37.40 | 24.30 |
Tre:Glc:W (1:2:13) | 145.99 | 141.21 | 50.08 | 32.63 | 37.36 | 24.80 |
Men:AcetA (1:1) | 19.02 | 18.69 | 10.83 | 11.60 | 11.31 | 5.82 |
Men:Bor (7:2) | 33.22 | 32.45 | 10.92 | 11.11 | 11.11 | 3.21 |
Men:DecA (1:1) | 15.14 | 15.00 | 9.15 | 8.99 | 8.89 | 3.92 |
Men:DecA (2:1) | 18.69 | 18.31 | 9.68 | 9.64 | 9.50 | 3.68 |
Men:DecA (4:1) | 24.28 | 23.75 | 10.13 | 10.18 | 10.01 | 3.48 |
Men:DecA (7:2) | 32.55 | 31.80 | 10.05 | 10.09 | 9.93 | 3.51 |
Men:LauA (2.7:1) | 20.32 | 19.84 | 9.52 | 9.57 | 9.43 | 3.45 |
Men:LauA (2:1) | 18.14 | 17.71 | 9.24 | 9.26 | 9.14 | 3.51 |
Men:LauA (4.5:1) | 25.07 | 24.45 | 9.92 | 10.02 | 9.86 | 3.36 |
Men:LauA (4:1) | 23.84 | 23.30 | 9.84 | 9.92 | 9.77 | 3.38 |
Men:LauA (5.3:1) | 26.92 | 26.22 | 10.03 | 10.14 | 9.97 | 3.34 |
Men:LauA (8:1) | 32.37 | 31.64 | 10.26 | 10.40 | 10.22 | 3.29 |
Men:LauA:DecA (2:1:1) | 20.94 | 20.73 | 8.85 | 8.74 | 8.66 | 3.78 |
Men:LauA:DecA (4:1:1) | 26.04 | 25.51 | 9.45 | 9.44 | 9.32 | 3.59 |
Men:LevA (1:1) | 17.38 | 17.23 | 10.36 | 10.96 | 10.77 | 5.35 |
Men:MyrA (4:1) | 23.43 | 22.93 | 9.51 | 9.68 | 9.54 | 3.29 |
Men:MyrA (8:1) | 32.05 | 31.32 | 10.07 | 10.25 | 10.07 | 3.23 |
Men:Thy (1:1) | 15.99 | 15.62 | 10.58 | 11.19 | 10.88 | 3.56 |
Men:Thy (2:1) | 19.39 | 18.91 | 10.67 | 11.14 | 10.86 | 3.42 |
Men:Thy (4:1) | 24.83 | 24.22 | 10.73 | 11.10 | 10.85 | 3.32 |
Men:Thy (8:1) | 33.12 | 32.36 | 10.78 | 11.07 | 10.83 | 3.25 |