Thermodynamic Properties of Two-Component Molecular Crystals

3032 occurrences of fusion temperatures and enthalpies for two-component molecular cocrystals and their pure components form this database. German L. Perlovich compiled the data from literature published between 1900 and 2024. The dataset includes evaluated formation thermodynamic functions for 934 specific two-component crystals.

Use Cases

• Estimate Gibbs free energy of formation for a two-component crystal using sublimation Gibbs energy values of its coformers.
• Analyze the driving forces (entropy vs. enthalpy) of cocrystallization for different stoichiometric compositions using calculated thermodynamic functions.
• Correlate molecular packing structures (e.g., tetramers, hexamers, columns, layers) with the entropy-driven or enthalpy-driven nature of the formation process.
• Model cocrystallization thermodynamics based on melting points of individual coformers and the resulting cocrystal/salt.

Strengths

• Contains 3032 data occurrences compiled from over a century of literature (1900-2024).
• Provides detailed thermodynamic analysis for 934 specific two-component crystals.
• Quantifies that 22.8% of the studied systems have entropy-driven formation processes.

Limitations

• The dataset is very small in file size (37.0 KB), indicating limited raw data or scope.
• Data is derived from literature analysis, potentially inheriting inconsistencies from original sources.
• Rows and specific column details are unknown, limiting immediate understanding of the data structure.

Provenance

Source

figshare, authored by German L. Perlovich.

Collection Method

Compiled via analysis of scientific literature.

Time Range

Literature coverage from 1900 to 2024.

Freshness

Data covers literature up to 2024 and was last updated on the platform in April 2026.