HSP top page : Application of HSP.
2011.11.17
HSPiP Team Senior Developer, Dr. Hiroshi Yamamoto
MicroWave and HSP: What temperature does it become when you exposure MW to your compound? It is very important to kow this information before you try organic synthesis with MW. Hansen Solubility Parameters (HSP) may answer this question. New algorithm to calculate each atoms' charge by QEQ method will help you to understand the absorbance of MicroWave. Congratulation on Nobel Prize for Suzuki-Coupling Reaction!! (Why here? )
Hansen Solubility Parameters (HSP) and logP: LogP, logKow (Octanol/water partition ratio) is very important index in medical area, so we try to find out the relationship HSP and logP. But failed. This index is just the ratio, so both 100/100 and 0.01/0.01, the logP become 0. Then the question arise. Why logP is predicatble from only its structure? There are several logP estimation program is exist such as clogp, Sci-logP. In Pirika, I also have one. Why it can be canceled the difference of 100/100 and 0.01/0.01 ?
What we found is logP = Volume.
My logP, logKow estimation Accuracy: I checked my new ver. 3.1.x Y-MB routine with hormonally active agents (endocrine disrupting chemicals) experimental logP values with YMB results. And I also add the correlation of VOC compounds' experimental logP to Y-MB results.
Liquid-Liquids extraction with Hansen Solubility Parameters (HSP). This extraction system is organic liquids and water system. If the chemical is relatively easily dissolve to organic solvent, HSP distance is small. So, I think that the HSP distance from solute to organic solvent will become one of the index for liquid-liquid extraction.The HPLC with ODS column, it can be treated as continuous hexane-water extraction.
Super Critical CO2: I determined HSP of Super Critical carbon dioxide (ScCO2) with function of Temperature-Pressure. Almost all the case, I determine solute's HSP with HSP known Solvents, this case, I determined ScCO2's HSP with HSP known Solutes. The HSP of ScCO2 depends on Temperature and Pressure.
Corresponding State Theory (CST) and Hansen Solubility Parameters (HSP): CST is very important and very beautiful theory to predict thermo-chemical properties. HSP is also member of CST. The reason why we can compare HSP vectors of solvents is that the origin of vectors is zero of heat of vaporization and that is equal to the critical point.
Surfactant: Critical Micelle Concentration and aggregation number. I compiled CMC data for surfactant. I happen to plot logCMC to logP of Carboxylic Acid (Acid form). There is so beautiful correlation. HSP play nothing for these Index.
