Solubility of L-Norvaline in 12 Monosolvents: Solvent Effects Analysis, Molecular Simulation, Model Correlation, and Comparison with Structurally Similar Substance

l-Norvaline has antifungal activity and is also used as a key intermediate in antihypertensive drugs. The solubility of l-norvaline in 12 monosolvents was determined by the static weighing method in the temperature range of 298.15–323.15 K and atmospheric pressure of 101.2 kPa. The solubility and temperature were positively correlated. Two models (the modified Apelblat model and the Yaws model) were used to correlate the solubility data, with the Yaws model providing the best fit. X-ray powder diffraction analysis was used to characterize the crystalline form of l-norvaline before and after dissolution equilibrium, and the solubility of l-norvaline in 12 single solvents was evaluated by quantum chemical analysis and Hansen solubility parameters (HSPs). The solvation behavior was mainly influenced by the solvent polarity (ET(30)). The relationship between the solubilities of different solutes in the same solvent was then discussed by comparing the solubilization behavior of l-norvaline and l-valine in the single solvent species. These experimental analyses are useful for the purification, crystallization, and industrial application of l-norvaline. Therefore, it is necessary to study the solvation behavior of l-norvaline in different single solvents to provide sufficient data to support the design of its crystallization process.