Infinite Dilution Activity Coefficients for 34 Solutes in Two Ionic Liquids

New experimental data for 34 molecular solutes measures how cation functionalization alters solvation thermodynamics in ionic liquids. Kamil Paduszyński obtained infinite dilution activity coefficients via gas–liquid chromatography across a 50 K temperature range. The results indicate that inserting an oxygen atom into the cation ring primarily raises the baseline cost of solvation rather than changing interaction types.

Use Cases

• Modeling solvation thermodynamics based on experimental infinite dilution activity coefficients
• Comparing solvent affinity for polar versus nonpolar solutes based on the described interaction hierarchy
• Calibrating computational models like COSMO-RS using the provided temperature-dependent experimental data
• Investigating the thermodynamic cost of cavity formation in ionic liquids for nonpolar solutes

Strengths

• Includes experimental data for 34 distinct molecular solutes
• Provides measurements across a 50-degree temperature range (308.15 to 358.15 K)
• Data is supported by multiple analysis methods: linear solvation energy relationship, regular-solution treatment, and COSMO-RS calculations

Limitations

• Row count and column-level documentation are unknown, requiring manual inspection after download
• The dataset's 269.9 KB size indicates a limited scope, focusing on two specific ionic liquids
• Description metadata is limited; actual data structure and field semantics must be inferred from the XLSX file

Provenance

Source

figshare

Collection Method

Data obtained by gas–liquid chromatography experiments

Freshness

Last updated 2026-06-01 05:13:46