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  • 1. DFT of Naphazoline

Comparative Study of Refractive Index Deviation and Molar Refraction Deviation for Predicting Molecular Interactions

The relative merits of refractive index deviation (Δn) and molar refraction deviation (ΔRm) as indicators of molecular interactions in binary liquid mixtures are examined. Using experimental data, from literature, for six ethyl chloroacetate + n-alkane (C6 to C12) systems at three temperatures, we investigate whether these two widely-used parameters provide equivalent information. Our analysis reveals strong linear correlations (r > 0.95 in most cases) between ΔRm and Δn, with both parameters showing identical signs and nearly coincident peak positions. A systematic scaling relationship ΔRm ≈ k × Δn is observed, where the scaling factor k increases from 0.04 for hexane to 1.9 for dodecane. Temperature sensitivity analysis indicates that both parameters respond similarly to thermal changes. These findings suggest that ΔRm and Δn may be considered practically equivalent for qualitative interaction assessment, though ΔRm appears more suitable for systems with significant volume changes. The choice between them can be guided by available data and required measurement precision.



- Mohd. Aleem Khan1, Isht Vibhu2*, Vishal Singh Chandel3 *