HPLC-Based Method for Estimating the Temperature Dependence of<i>n</i>-Octanol−Water Partition Coefficients
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Bibliographic record
Abstract
Retention time measurements on reversed phase HPLC-columns over a 50 K temperature range are used to estimate the enthalpy of octanol−water phase transfer Δ OW H for 38 organic compounds of environmental relevance, including selected chlorinated benzenes (CBzs), polycyclic aromatic hydrocarbons (PAHs), polychlorinated naphthalenes (PCNs) and biphenyls (PCBs). Literature K OW values as a function of temperature for CBzs served as a reference. Δ OW H for these compounds range from 13 to 32 kJ/mol, confirming a relatively minor temperature dependence of their partitioning between water and octanol. For the chlorinated aromatics a strong linear relationship between Δ OW H and molar volume was observed. The temperature-dependent retention volumes are also used to estimate K OW of selected PCNs and PAHs at 25 °C.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it