SolProp Dataset for: Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures

DOI10.5281/zenodo.5970538Zenodo5970538MaRDI QIDQ6693394FDOQ6693394

Dataset published at Zenodo repository.

Yunsie Chung, Florence H. Vermeire, William H. Green

Publication date: 1 July 2022

Copyright license: Creative Commons Attribution 4.0 International

Description

The datasets and supplementary materials for the manuscript Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures by Florence H. Vermeire, Yunsie Chung, and William H. Green.Citations should refer directly to the manuscript (https://doi.org/10.1021/jacs.2c01768). The preprint version of of the manuscript is available at:https://doi.org/10.26434/chemrxiv-2022-92hl1 The SolProp data collection contains thermodynamic properties related to the dissolution of organic solutes in organic solvents and water.Thermodynamic properties included are solvation free energy at 298K (dGsolv), solvation enthalpy at 298K (dHsolv), Abraham Solute Parameters (E,S,A,B,L), aqueous solid solubility at 298K (logSaq), and solid solubility in organic solvents at various temperatures (logS). The dataset is limited to neutral solutes and solvents. Detailed information can be found in the ReadMe.txt file.

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