Yd. Lei et al., HPLC-based method for estimating the temperature dependence of n-octanol-water partition coefficients, J CHEM EN D, 45(5), 2000, pp. 738-742
Retention time measurements on reversed phase HPLC-columns over a 50 K temp
erature range are used to estimate the enthalpy of octanol-water phase tran
sfer Delta(OW)H for 38 organic compounds of environmental relevance, includ
ing selected chlorinated benzenes (CBzs), polycyclic aromatic hydrocarbons
(PAHs), polychlorinated naphthalenes (PCNs) and biphenyls (PCBs). Literatur
e K-OW values as a function of temperature for CBzs served as a reference.
Delta(OW)H for these compounds range from 13 to 32 kJ/mol, confirming a rel
atively minor temperature dependence of their partitioning between water an
d octanol. For the chlorinated aromatics a strong linear relationship betwe
en Delta(OW)H and molar volume was observed. The temperature-dependent rete
ntion volumes are also used to estimate K-OW of selected PCNs and PAHs at 2
5 degrees C.