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. 2021 Mar 31;6(14):9910–9919. doi: 10.1021/acsomega.1c00691

Table 3. Partition Coefficients of Reference Substances in Model and Real Systems.

molecule linear RI estimated nonpolar RI Ket,ip, average value Kip Kicalc
naphthalene 1190.8 ± 0.4 1231 0.82 ± 0.08 0.82 0.78
anthracene 1820.8 ± 0.4 1782 0.78 ± 0.08 0.69 0.74
pyrene 2164.8 ± 0.4 1984 0.77 ± 0.08 0.63 0.73