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. 2020 Oct 8;13(19):4454. doi: 10.3390/ma13194454

Table 2.

The basic physicochemical parameters of NCA.

Acid BA CinA p-CA CFA RA ChA
Mw 122.12 [30] 148.16 [30] 164.16 [30] 180.16 [30] 360.31 [30] 474.37 [30]
pKa 4.19 1 [31] 4.44 1 [32,33] 4.64 1 [34] 4.36 1 [35] 3.57 1 [36]
4.21 1 [33] 4.70 1 [37] 4.41 1 [38] 3.62 1 [39]
9.15 2 [40] 4.49 1 [41]
9.50 2 [34] 8.48 2 [35]
8.72 2 [41]
8.85 2 [40]
>10 3 [40]
11.17 3 [35]
11.38 3 [35]
pKa calculated 4.2 1 [42] 4.3 1 [42] 4.6 1 [42] 4.6 1 [42] 2.8 1 [42] 2.72 1 [43]
4.65 1 [44] 9.8 2 [42] 2.78 1 [45]
10.2 2 [42] 12.8 3 [42] 9.3 2 [42]
9.92 2 [44] 9.33 2 [45]
9.8 3 [42]
9.77 3 [45]
12.3 4 [42]
12.33 4 [45]
12.6 5 [42]
12.65 5 [45]
Log p 1.87 [46] 2.13 [46,47] 1.46 [48] 1.15 [48] 1.60 [49] 0.72 [49]
2.03 [50] 2.08 [51] 1.79 [47] 1.63 [52] 1.23 [43]
Log p calculated 1.89 [42] 2.41 [42] 1.88 [42] 1.42 [42] 1.70 [42] 3.02 [43]
3.48 [43]
HBA 2 [53] 2 [54] 3 [54] 4 [54,55] 8 [52] 11 [56]
4 [49] 10 [43]
8 [49]
HBD 1 [53] 1 [54] 2 [54] 3 [54,55] 5 [52] 6 [56]
4 [49] 4 [49,43]

1—pKa1, 2—pKa2, 3—pKa3, 4—pKa4, 5—pKa5; HBA—H-bond acceptor, HBD—H-bond donor.