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1-octanol abiotic acids activity coefficients activity data adsorption algae analysis application aquatic aqueous aromatic bioavailability bioconcentration biodegradation biological calculated chemical classes compartments components compound classes concentration contaminants correlations Daphnia data set degradation dependent derived descriptors distribution ecosystems ecotoxicity ecotoxicology effects endpoints environment equilibrium esters estimates example experimental data exposure extrapolations factors Figure fish free-energy relationships functions halogen Hammett equation Hansch hence Henry's law Hermens hydrogen bonding hydrolysis hydrophobic input interactions ionization linear lipid lipophilicity log BCF log Pow measured membrane method mode of action molar molecular molecules mutagens Nendza non-polar non-specific toxicants OECD organic outliers parameters partition coefficients phenol physico-chemical polar potential predictions principal processes properties QSAR models range reactions regression relationships relevant respective result risk assessment soil sorption sorption statistical steric structures substances substituent substructures Table target test compound tion toxicity toxicity data validity values vapour pressure variables water phase water solubility xenobiotics
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