Group Additivity Values\nfor Estimating\nthe Enthalpy of Formation of Organic Compounds: An Update and Reappraisal.\n2. C, H, N, O, S, and Halogens
Bibliographic record
Abstract
This study extends a previous publication on group additivity\nvalues\n(GAVs) for the elements C, H, and O, to include the elements nitrogen,\nsulfur, and the halogens. The present state and utility of the Benson\nadditivity schemes for estimating the enthalpy of formation (Δ<sub>f</sub><i>H</i><sup>0</sup>) of organic compounds are again\ndescribed, extending them to include more elements. Old and new GAVs\nfor a wide variety of compounds are provided and are revised where\nnecessary. When new terms are proposed, or old ones are significantly\naltered, the rationale for so doing is presented. GAV derived ring\nstrain values for benzene and pyridine indicate that the aromatic\nstabilization of each is essentially the same. As before, the thermochemical\nconsequences of replacing one functional group by another are also\nshown, thus permitting quick shortcuts to the estimation of new Δ<sub>f</sub><i>H</i><sup>0</sup> values.
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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) | 0.008 | 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".