Determination of Octanol−Air Partition Coefficient (<i>K</i><sub>OA</sub>) Values for Chlorobenzenes and Polychlorinated Naphthalenes from Gas Chromatographic Retention Times
Bibliographic record
Abstract
Isothermal capacity factors k on three gas chromatographic columns of different polarity were determined for chlorobenzenes (CBzs) and polychlorinated naphthalenes (PCNs). All possible multiple linear regressions of the logarithm of these capacity factors with previously reported temperature-dependent octanol−air partition coefficient ( K OA ) values of selected CBzs and PCN congeners were performed to derive predictive relationships for the remaining congeners. A comparative evaluation of the regression coefficients and the standard error of the predicted K OA values revealed that regressions with the capacity factor on a single nonpolar column (DB-5ms) yielded the best results for both CBzs and PCNs. Using the best regression equations, K OA values for 6 CBzs and 27 PCNs were obtained for the temperature range from 10 °C to 50 °C. The internal energies of air−octanol phase transfer Δ OA U for these chemicals were calculated by correlating the interpolated log K OA values with reciprocal absolute temperature.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.001 |
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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".