Abstract
There is a renewed interest in treating odorous contaminants such as butyric acid, p-cresol, and ammonia that are emitted from animal farming operations. However, developing newer treatment technologies require quantitative information regarding the properties of the target pollutants. Therefore, in this communication, baseline data related to physicochemical and thermodynamic properties of butyric acid, p-cresol, and ammonia were predicted using computational chemistry. Density functional theory was employed via B3LYP functional coupled with polarized 6-31G (d) basis set without any solvent effects using Gaussian 16W and GaussView6. The predicted baseline properties collected here are expected to be useful to scientists and engineers working in environmental mitigation technologies in developing treatment processes and make the animal agricultural industry environmental friendly and sustainable.