Solubility measurement, correlation, thermodynamic analysis and molecular simulation of 1-nitronaphthalene in twelve pure solvents

•Solubility data for 1-nitronaphthalene in twelve organic solvents were measured.•Intermolecular interactions and overall charge distribution of 1-nitronaphthalene were studied by HS and MEPS.•The data was well correlated by the Apelblat, van't Hoff, λh and Wilson models.•Molecular dynamic simulation was used to analyze the solute–solvent interactions.