HSP Application note #23
Database of HSPiP
HSPiP Team Senior Developer, Dr. Hiroshi Yamamoto
HSPiP(Hansen Solubility Parameters in Practice)
The first edition of HSPiP that appeared in November, 2008, greatly enhanced the usefulness of the Hansen solubility parameters (HSP).
The HSP values of over 1200++ chemicals and 500 polymers are provided in convenient electronic format and have been revised and updated using the latest data sources in the second edition (March, 2009).
A third edition of the HSPiP appeared in March, 2010. There are now 10,000 compounds in the HSP file which also includes data on density, melting point, boiling point, critical parameters, Antoine constants and much more. The user is able to carry out many different sorts of optimisations of solubility, evaporation, diffusion, adhesion, create their own datasets (automatically if required) and explore the huge range of applications for HSP in coatings, paints, nanoparticles, cosmetics, pharma, organic photovoltaics and much more.
The 3rd Edition v3.1 was released on 12 December 2010. Current users can upgrade free (now v3.1.09) by downloading the latest .msi installer from http://hansen-solubility.com
The 4th Edition v4.0.x was released on 2 Jan. 2013. The Current users can upgrade with free charge.
2013.1.28 The Visual How to manual of HSPiP. You can understand what HSPiP can do.
At the version 2, we had 1200 compounds database to build properties estimations.
Now we have more than 10000 compounds.
When building V3, at first we examined functional groups.
The new compounds may need define new functional groups.
Sometimes, there are too little physical data and erase that functional group.
|Heat of Vaporization||421||1207|
|Heat of Fusion||536||1395|
|Solubility to Water||740||4426|
|Reactivity of OH radical||380||708|
|Heat of Formation||1185||2637|
|Bio Concentration Factor||638|
If we have new properties database, we can easily expand our system.
So, please let us know if you want to know other properties.
We add RER data for Ver. 3.1.X
If you want to know how to draw molecules, please refer to Power Tools applications.
Once we build properties estimation scheme, we can search molecules from our large database.
In HSPiP ver.3, pre-calculated HSP values and other properties are available.
For example, you can use Find Molecules menu.
If I enter HSP range l used Allergens, in the basic database (Ver.2) we get only 3 compounds, but If you check 10,000 set option(Ver. 3), you get 44 match.
You can use other Find Molecules options.
You can set Boiling point range or you can set functional groups range.
This function is very easy to use when you want to search liquids-liquids extraction solvents, search certain polymer solvents or search solvents for organic synthesis.
This database and Find Molecules is the most powerful tool in ver. 3.