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

<p>The datasets and supplementary materials for the manuscript &quot;Predicting Solubility Limits of Organic Solutes<br> for a Wide Range of Solvents and Temperatures&quot; by Florence H. Vermeire, Yunsie Chung, and William H. Green.&nbsp;<strong>Citations should refer directly to the manuscript (</strong><a href="https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fdoi.org%2F10.1021%2Fjacs.2c01768&amp;data=05%7C01%7CFlorence.Vermeire%40ugent.be%7C31f767a36cf547f91aef08da48bb3fcd%7Cd7811cdeecef496c8f91a1786241b99c%7C1%7C0%7C637902266316761522%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&amp;sdata=1CKXFXvTtqOGDSBpSw8AeKCt25%2B27CC%2FNU7Ery276D0%3D&amp;reserved=0">https://doi.org/10.1021/jacs.2c01768</a><strong>).</strong></p> <p>The preprint version of of the manuscript is available at:&nbsp;https://doi.org/10.26434/chemrxiv-2022-92hl1</p> <p>The SolProp data collection contains thermodynamic properties related to the dissolution of organic solutes in organic solvents and water.&nbsp;Thermodynamic properties included are solvation free energy at 298K (dGsolv), solvation enthalpy at 298K (dHsolv), Abraham Solute Parameters (E,S,A,B,L),&nbsp; 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.</p> <p>Detailed information can be found in the &quot;ReadMe.txt&quot; file.</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
0
Engagement
4

Topics

Dataset details

Repository
zenodo
Published
June 30, 2022
License
cc-by-4.0
DOI
10.1021/jacs.2c01768

Scored with release 0.9.0

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