HSPiP Datasets
HSPiP provides a fully updated/revised set of HSP data for the 1200+ chemicals that constitute the standard Hansen set as featured in Hansen Solubility Parameters: A Users' Handbook. Estimated HSP and other data are tabulated for another 10,000 chemicals. The datasets includes CAS No., SMILES notation, Molecular Formula and Molecular Weight, Antoine Coefficients and much more to help you. There is full search capability by name, CAS or Formula. The data have been compiled, edited and estimated by Dr Hiroshi Yamamoto. This is an awesome amount of data to make available to users! To check out the chemicals included in HSPiP, download HSPiPDataSet.xls which contains just the chemical name and CAS # and distinguishes between the two datasets.
You also get a dataset of 500+ polymers and a table of Surfactant HSP values. There is also a method for calculating surfactant HSP by mixing and matching the two halves of your chosen surfactant.
You get a large set of Fragrance chemicals. And you get working data sets for many HSP evaluations – polymers, nanoparticles, C60, skin permeation, cytotoxicity, bitumen – everything that’s in the eBook comes with the real data (from many sources, including many generous people who have given us permission to use their data) which you can load into the software and explore for yourself.
For Solvent Optimization there is a large data set of common solvents complete with their Relative Evaporation Rates and Antoine Coefficients that allow calculation of evaporation rates at other temperatures. Pharmaceutical excipients, NMR solvents and others are also included.
Importantly, you can save/load your own data sets. They are simple text files which take up little storage space and are convenient for emailing to colleagues for discussion or even emailing to Steven Abbott if you want to raise an interesting point or donate your data to future editions of the eBook/software package.
Measuring HSP
However much data we supply, and however good the automatic estimation tools might be, there is always a need for measurements of real-world materials
If you know the solubility (Yes/No or measured values) of your chemical, API, polymer, nanoparticles... in 20-30 solvents then the software allows you calculate the HSP. The process is relatively simple and has been used successfully for the past nearly 50 years. It is at the heart of the HSPiP software. However, some labs have problems assembling a good range of solvents (that span the full HSP space) so it is not possible to carry out the tests. HSPiP helps you get round this problem by allowing you to use the Grid method to create solvent blends from a small set of solvents. But even this is quite a lot of work and without a robotic system it can be tedious.
We are therefore pleased to provide a list of companies that offer an HSP determination service. We provide this list as a service to HSP users and are happy to add to the list if other service providers contact us and provide us with evidence that their techniques meet an adequate standard. The listed service providers are independent of HSPiP so we offer no guarantees of quality or service. They are in alphabetical order.
Agfa Labs have provided their own view of why HSP are useful.