Linear Solvation–Energy Relationships (LSER) and Equation-of-State Thermodynamics: On the Extraction of Thermodynamic Information from the LSER Database

There is a remarkable wealth of thermodynamic information in freely accessible databases, the LSER database being classical example. The LSER, or Abraham solvation parameter model, very successful predictive tool variety applications (bio)chemical and environmental sector. model associated are rich on intermolecular interactions, which, if extracted properly, would be particularly useful various developments for further applications. Partial Solvation Parameters (PSP), based equation-of-state thermodynamics, designed as versatile that facilitate this extraction information. present work explores possibilities such an LSER–PSP interconnection challenging issues effort faced with. basis linearity examined, especially, with respect to contribution strong specific interactions solute/solvent system. This done by combining thermodynamics statistical hydrogen bonding. It verified there is, indeed, LFER linearity. Besides provenance sought linearity, insight gained character content coefficients terms equations. perspectives from development related databases discussed. examined exchange between QSPR-type challenges representative calculations.