Table 2.
Physicochemical properties of C12, C14 and C16 alkyl derivatives of benzalkonium chloride
| BAK derivatives | C12 | C14 | C16 (CKC) |
|---|---|---|---|
| Molecular weight (g/mol) | 340 | 368 | 396 |
| XlogP3 (PubMed compound) | 7.4 | 8.4 | 9.5 |
| logP (calculated) | 3.44 | 4.45 | 5.46 |
| logP (measured)a | −0.17 < logP <−0.07 | 0.24 < logP < 0.44 | 2.4 < logP < 2.6 |
| Critical micellar concentration (CMC)b | 4.5 mm | 0.75 mm | 0.55 mm |
| 1.53 g/l | 0.29 g/l | 0.022 g/l | |
| 0.153% | 0.029% | 0.0022% | |
| Superficial tension at CMC (mN/m) | 38 | 38 | 40 |
| Water solubility (g/l; 25°C) | 1230 | 100 | 8.5 |
BAK, benzalkonium chloride; CKC, cetalkonium chloride.
a
Maximum solubility ratios in both organic and aqueous phases.
b
Measured with a Wilhelmy blades tensiometer.