Evaluation of Dielectric and Insulation Properties of Various Fluorinated Liquids and Analysis Using Molecular Descriptors

The objective of this study is to investigate the electrical properties of various fluorinated liquids, analyze them from multiple perspectives, and elucidate the impact of three-dimensional molecular structural differences on their electrical characteristics. The electrical properties of nine fluorinated liquids were compared. Additionally, the Pearson correlation coefficients were calculated between molecular descriptors - derived from SMILES representations - and breakdown voltage were determined. The results indicate that hexafluorobenzene and SS-110, which exhibited low relative permittivity and low DC conductivity, tended to have higher breakdown voltages. Furthermore, the molecular descriptors EState_VSA1, HallKierAlpha, and FpDensityMorgan2 demonstrated a strong correlation with breakdown voltage. These findings suggest that molecular descriptor calculations based on SMILES representations can serve as a useful tool for predicting the breakdown voltage (BDV) of fluorinated liquids. Moreover, this approach holds potential for estimating BDV values for unknown samples and contributing to the design of molecular structures with high dielectric strength.