Predictive Correlation for <i>C<sub>p</sub></i> of Organic Solids Based on Elemental Composition
Bibliographic record
Abstract
A correlation for the constant pressure heat capacity (<i>C</i><i><sub>p</sub></i>) valid from 50 K to the fusion temperature for pure\norganic solids is presented. The predictive correlation includes seven universal coefficients. The variables are\ntemperature and a parameter α, which possesses a value proportional to the number of atoms in a molecule\ndivided by molar mass. This parameter is shown to be more robust than molecular structure or composition as a\ndescriptor for <i>C</i><i><sub>p</sub></i>. The training set comprises 72 organic solids with a wide range of molecular structures and\nelemental compositions including nitrogen-, oxygen-, and sulfur-substituted organic compounds. Solid−solid\ntransition regions were excluded from the data set. The average absolute deviation for the comparison test set\nincluding 93 additional compounds with 2080 specific heat capacity values is less than 0.06 J·K<sup>-1</sup>·g<sup>-1</sup>. The\nprincipal applications for the correlation are estimation of heat capacities for large organic molecules, where data\nare normally unavailable, and for poorly defined mixed organic solids such as asphaltenes where elemental analysis\nbut not molecular structures are available.
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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) | 0.000 | 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".