Physical and Chemical Property Prediction Methods
Predictive Methods for the generation of Physical and Chemical Properties.
Physical chemical properties can be obtained via fast predictive methods based on extensive databases of literature values. Physical property predictions can be run for single molecules or automatically in batch mode to enable rapid screening across large chemical libraries.
Commonly used physical properties for which predictions available include:
- pKa (acid dissociation constant)
- pKb (base association constant)
- logP (octanol:water partition coefficient)
- logD (octanol:water distribution coefficient)
- Aqueous solubility
Predictions can be run for a large number of other physical properties and these include a number of the endpoints required for REACH (melting point, boiling point, relative density, vapour pressure, surface tension and flash point):
- Physico-Chemical Property Predictions for REACH
- List of Physical Property Predictions (extended list)
Related Physico-Chemistry, Computational Chemistry and Physical Properties Testing Expertise:
Contact us to see how Intertek can help your organization with Physical and Chemical Property Prediction Methods.