Estimations of vapor pressure and activity coefficients in water and octanol for selected aromatic chemicals at 25°C
Bibliographic record
Abstract
Abstract A roupcontribution method is developed to estimate the supercooled liquid vapor pressure and the activity coefficients in water and octanol at 25°C of 98 selected monoaromatic compounds, many of which are or have been produced as chlorinated by-products in the manufacture of pulp and paper. The set includes alkylphenols, chlorinated phenols, anisoles, catechols, cymenes, guaiacols, syringols, and veratroles. The method can be used to estimate vapor pressures, solubilities in water, octanol-water partition coefficients, octanol-air partition coefficients, and Henry's law constants. It can also be used for predicting these partition coefficients as well as solubilities and vapor pressures for these and structurally similar compounds.
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How this classification was reachedexpand
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 | 0.000 | 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 | 0.000 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".