Abstract
Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. Recently Goss proposed a modified Abraham solvation equation. For various partitioning processes, the present study investigates the consequences for the fit when the Abraham solvation parameter V is left out of this modified solvation equation. For air-organic solvent partition, the Abraham solvation parameter V can be omitted from the Goss-modified Abraham solvation equation without any loss of statistical quality. For air–water partitioning, organic biphasic system partitioning, as well as water-organic solvent partitioning, omitting the V parameter from the Goss-modified Abraham solvation equation leads to only a small deterioration of statistic quality.
| Original language | English |
|---|---|
| Pages (from-to) | 1742-1746 |
| Journal | Chemosphere |
| Volume | 93 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 2013 |
Keywords
- partition-coefficients
- organic-compounds
- gas-phase
- water
- thermodynamics
- temperature
- equilibrium
- descriptors
- solutes
- model