A thermodynamic and density functional theory study of intermolecular interactions between 2- methylaniline and some alkyl acrylates

The densities (ρ) and speeds of sound (u) are reported for binary mixtures of 2-methylaniline with methyl acrylate (MA), ethyl acrylate (EA) and butyl acrylate (BA), over the entire composition range from 303.15 K to 318.15 K and at atmospheric pressure 0.1 MPa. The excess functions (VE and κs E) are calculated from the densities and speeds of sound at experimental temperatures. Excess functions are correlated by the Redlich – Kister equation. Quantum mechanical approach was used to study the intermolecular hydrogen bond interactions in self and cross-associated complexes of 2-methylaniline and alkyl acrylate with the aid of DFT in the gas phase.