Theoretical exploration of the volumetric and optical properties of 3-amino 1-propanol and isomeric butanol at 298.15 K-318.15 K: PFP theory, Graph theoretical approach, and FTIR studies

Abstract

Volumetric and optical properties for binary mixtures containing 3–amino-1–propanol (3AP) + isomeric butanol was measured in the temperature range (298.15–318.15) K. Excess molar volume (${V_m}^E$) and deviation in refractive index ($\Delta n_D$) were computed using the estimated parameters. The Prigogine–Flory–Patterson (PFP) theory and Graph theoretical approach (GTA), were utilized to analyze the ${V_m}^E$data at 298.15 K, respectively. Furthermore, the molecular species of various components are predicted to exist in both pure and mixed states by the GTA. The excess/deviation in properties was further interpreted in terms of intermolecular interactions. Theoretical and experimental results agree well. The temperature effect on measured properties was also discussed. For the theoretical determination of n_D various mixing rules were also used. Furthermore, FT–IR spectroscopy confirmed the formation of hydrogen bonding among the molecules in the components.