Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

The purpose of this study was to evaluate solubility data and solute-solvent molecular interactions of 5-aminotetrazole in various pure solvents including methanol, ethanol, n-propanol, isopropanol, 1-butanol, toluene, acetone, acetonitrile, ethyl acetate, 1,4-dioxane, N,N-dimethylformamide (DMF) and N-methyl pyrrolidone (NMP) at temperatures "T=283.15 K to 323.15 K" and pressure "P=0.1 MPa. The solubility data was determined by the isothermal saturation method with the help of high performance liquid phase chromatograph (HPLC). The solubility data of 5-aminotetrazole in mole fraction were obtained maximum value in DMF (7.951 e10-2) followed by NMP (7.415 e10-2), 1,4-dioxane (6.523 e10-2), toluene (3.811 e10-3), isopropanol (1692 e10-3), ethanol (1.752 e10-3), acetone (1.620 e10-3), n-propanol (1.566 e10-3), methanol (1.470 e10-3), ethyl acetate (1.393 e10-3), 1-butanol (1.315 e10-3) and acetonitrile (3.85 e10-4) at T = 323.15K. Moreover, the properties of solvent such as polarity and Hildebrand solubility parameters were analyzed as well. The function of solubility values in pure solvents and temperatures was evaluated by the modified Apelblat equation and Uh equation. The maximum values of relative average deviation (RAD) and root-mean-square deviation (RMSD) are no more than 1.58 e10-2 and 4.43 e10-4, respectively, which indicated that good correlation was recorded between experimental and calculated data. Then, the Akaike Information Criterion (AIC) was sued to select more suitable the model. Obtaining solubility data and correlative model parameters of 5-aminotetrazole and understanding the intermolecular forces in different solvents are particularly important in industrial synthesis and separation.