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Publication date:
Hille, Christoph (1) ; Ringe, Stefan (2) ; Deimel, Martin (1) ; Kunkel, Christian (1) ; Acree, William E. (3) ; Reuter, Karsten (1) ; Oberhofer, Harald (1) 
Author affiliation:
TUM (1); SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States (2) ; Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, TX 76203, USA (3) 
Solv@TUM v 1.0 
Time of production:
Subject area:
CHE Chemie 
Resource type:
Experimente und Beobachtungen / experiments and observations; Statistik und Referenzdaten / statistics and reference data 
Other resource types:
Example database access programs 
Data type:
Datenbanken / data bases; Programme und Anwendungen / software and applications 
The Solv@TUM database contains a collection of experimentally measured partition coefficients for a large number of molecular solutes in non-aqueous solvents. The database is aimed at providing reference data for e.g. the parameter fitting of effective solvation models. The data has been compiled from the works of Abraham, Acree and co-workers and will be regularly updated as new data becomes available. Each entry is provided with the respective literature reference. The database is given as a s...    »
Method of data assessment:
Partition coefficients were calculated from published experimental infinite dilution activity coefficients, Henry’s law constants and mole fraction solubility data using standard thermodynamic relationships. 

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Key words:
Partition Coefficients; Solvation Free Energies; Implicit Solvation; Reference Data; Non-aqueous Solvation;