Fourier transform infrared spectroscopy
(FT-IR) has been employed
to obtain information about the nature of interactions in the liquid
solutions of pure solvents and their mixtures of
m-
chlorotoluene (MCT) with 1-alkanol systems at different mole fractions.
Furthermore, densities (ρ) and speeds of sound (
u
) of binary mixtures of MCT with a set of five 1-alkanols, namely,
1-propanol, 1-butanol, 1-pentanol, 1-hexanol, and 1-heptanol, were
measured as a function of composition at 298.15 K. From the experimental
quantities, the excess volumes (
V
E
), isentropic
compressibility (
k
s
), and excess isentropic
compressibility (
k
s
E
) were calculated for the binary mixtures over
the entire composition range and under the atmospheric pressure. These
excess properties (
V
E
) and (
k
s
E
) were correlated
with the Redlich–Kister polynomial equation. Additionally,
theoretical density functional theory calculations and natural bond
orbital analyses were carried out to further discern the nature and
strength of interactions between MCT and 1-alkanols. Moreover, the
recorded FT-IR spectra-derived excess properties and quantum chemically
derived data revealed the presence of interactions between component
molecules in binary liquid solutions.