Ideal Solubility Parameters

Ideal solubility parameters

The solubility of chemical substances is the property of being able to dissolve in a chemical solvent and forming a homogeneous solution of the solute in the solvent - we are talking here about a non-reactive interaction. Soluble substances depend on several factors, including their solvent, temperature, and pressure. The process of salvation occurs by balancing intermolecular forces between the solute and the solvent, as well as the change in entropy that occurs as a consequence. The process of salvation occurs by balancing intermolecular forces between the solute and the solvent, as well as the change in entropy that occurs as a consequence. These data guide the development of formulations and analytical methods. The purpose of this technical brief is to examine in what solvents, polymers, and bio-membranes APIs are soluble.

For formulation development, it makes sense, to begin with, the concept of "ideal solubility," defined as the amount of a solute that can dissolve in the perfect solvent without incurring any energy penalty. If there are chemical reactions (for instance, acid-base reactions) or ionic effects (in water) during dissolution, it isn't covered by this definition of ideal. APIs have a relatively low solubility because they must meet before they dissolve; the energy penalty necessary to break their crystalline structure is small. With specific heat capacities, enthalpies of fusion, and melting points, we can calculate specific values of ideal solubility by:



By specifying only the melting point at 25 °C, the Yalkowsky approximation is surprisingly effective for predicting the solubility (mole fraction) of the solution.




In addition to being able to research alternative formulation methods, the ideal solubility calculator allows formulators to avoid formulating formulations that will not achieve the ideal solubility. It is impossible to fight thermodynamic laws.

Substances can deviate from ideality when they are mixed. Different interactions between mixed species lead to these deviations, which are detected in the decreased activity of each substance. The calculation of activities and activity coefficients can be relatively simple when dealing with system configurations such as binary systems with simple interactions. The effects of adding multiple materials to formulations, such as solubilizers, surfactants, plasticizers, and other types of excipients, is increasing in complexity and time, making measuring and using the formulation an increasingly challenging task.

Solubility parameters characterize non-polar solvents in regular solution theory,

This is referred to as δ1



Assuming that ΔU represents molecular energy, while ΔH represents the molecular heat of vaporization of the solvent.

ΔH and V are determined by calorimetry at lower temperatures than the boiling point when a constant volume is used and the solvent is used as the solvent content. The efficacy of the liquid as a solvent is therefore determined by the solubility parameter, which measures the intermolecular forces within the solvent. ΔU/V is a measure of a liquid's cohesive energy density, or the force required to remove a molecule from its liquid - the amount of energy needed to cause its vaporization.

Due to the requirement to create cavities in a solvent to accommodate solute molecules to predict solubility, the solubility parameter δ 1 facilitates semiquantitative predictions of solubility, in particular when applied to the solubility parameter, δ2. There are only a few sorts of solvents that can be understood through solubility: those that have little or no polarity and those which cannot form hydrogen bonds. Indicators of solubility relationships can be derived from (δ1 - δ2), which are the differences between the solubility parameters. Based on the value of (U/V)1/2, a hypothetical value of δ2 can be calculated for solid solutes. It was found that the logarithm of solubility (log S) correlates well with the coefficient of (δ1/δ2)2.

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