Physical Chemistry Properties Data Sets (PChProp)
These datasets focuses on solubility-related information, including boiling points, Henry's law constants, LogS, melting points, and mole fractions. The Physical Chemistry Properties Data Collection provides carefully curated and standardized data on key chemical properties, empowering researchers to effectively model, analyze, and drive innovation in the field of physical chemistry. These datasets are available via PSDI Cross Data Search (https://data-search.psdi.ac.uk/find-a-substance/molecule?db=psdi.pchprop) and OPTIMADE (https://www.optimade.org/) API endpoints (https://pchprop-optimade.psdi.ac.uk/).
To use this resource go to the resource landing page.
This resource is part of the Data Collections for Chemical Modelling, Data Sources for PSDI Cross Data Search & OPTIMADE Data Providers resource themes.
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Please cite: Jeremy G. Frey, Samantha Pearman-Kanza, Joshua Cheung, Joanna Grundy and Matthew Partridge. Physical Chemistry Properties Data Sets (PChProp). Online. 04 March 2026. Available from: https://resources.psdi.ac.uk/data/44160b2f-5938-442e-9f0a-652eb55d1c2b. [accessed YYYY-MM-DD].