Mukesh, B. published the artcileThermodynamic, DFT and molecular dynamics studies of intermolecular interactions between 2-methoxyaniline and N- substituted amide mixtures, Quality Control of 123-39-7, the main research area is intermol interaction methoxyaniline substituted amide mixture mol dynamic.
The exptl. data of d.(ρ) and speed of the sound(u) of 2-methoxyaniline and N-alkyl amides binary liquid mixtures have been evaluated at temperatures T = (303.15 to 318.15) K. Values of excess molar volume (VEm), excess isentropic compressibility (kEs), excess partial molar volumes (V̅Em,1,V̅Em,2), and excess partial molar volumes at infinite dilution(V̅E,∞m,1,V̅E,∞m,2) over the whole composition range have been calculated by using the d. and the speed of sound measurements. The calculated excess parameters were used to discuss the intermol. interactions. A quantum mech. approach was performed in gas phase and classical mol. dynamic simulations were done in liquid phase to study the intermol. interactions in self and cross-associated complexes. The details of exptl., quantum mech. and classical mol. dynamic methods are used to investigate the formation of a hydrogen-bonded network between 2-methoxyaniline and N-alkyl amide mixtures
Chemical Data Collections published new progress about Compressibility. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Quality Control of 123-39-7.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics