Extending the SAFT-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:mi>γ</mml:mi></mml:math> Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement

The prediction of the solubility active pharmaceutical ingredients (APIs) is a significant challenge which importance in applications and solvent selection. Here, we extend table group interactions (3 like interactions, 47 unlike interactions) SAFT-γ Mie group-contribution equation state to model phase behaviour mefenamic acid, nonsteroidal anti-inflammatory drug, range solvents. In addition also consider its molecular synthons: benzoic acid diphenylamine. New experimental data are presented for three molecules solvents, new functional groups defined (aCCOOH, aCNHaC CH3CO) characterised, together with their groups. Literature vapour pressure, single-phase density, saturation vapourisation enthalpy, bubble temperature, dew pressure used characterise interactions. Solubility group-group only if there no other available. transferability predictive accuracy models assessed by comparing theoretical predictions data. Our comparison includes alcohols, ketones, esters as families solvents mixed-solvent predictions.