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Record W2077036594 · doi:10.1021/je0155148

Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons

2002· article· en· W2077036594 on OpenAlexaff
Ying Duan Lei, Raymond Chankalal, Anita S.W. Chan, Frank Wania

Bibliographic record

VenueJournal of Chemical & Engineering Data · 2002
Typearticle
Languageen
FieldChemistry
TopicChemical Thermodynamics and Molecular Structure
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
Fundersnot available
KeywordsChemistryVapor pressurePyreneVaporizationSupercoolingSaturation (graph theory)Boiling pointHomologous seriesDimethylsilaneHydrocarbonOrganic chemistryAnalytical Chemistry (journal)Thermodynamics

Abstract

fetched live from OpenAlex

The vapor pressure of the supercooled liquid ( P L ) for 35 unsubstituted and alkylated polycyclic aromatic hydrocarbons (PAHs) was determined as a function of temperature using a gas chromatographic retention time technique. Pyrene and 1,2-benzanthracene, two compounds with well-established temperature-dependent vapor pressures, served as standard reference compounds. The method was calibrated with nine PAHs for which the vapor pressures at 25 °C are known from measurements relying on gas saturation and gas effusion techniques. Enthalpies of vaporization Δ vap H were also determined. The P L data were evaluated by comparison with several sets of published data and found to be reliable. For most of the investigated PAHs, a strong linear relationship between log P L and molecular mass exists, ranging over more than 9 orders of magnitude. However, PAHs with bulky substituents, such as phenyl- and tert -butyl-groups, have a higher vapor pressure than would be expected on the basis of molecular mass, presumably because of the lack of molecular planarity.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.012
GPT teacher head0.209
Teacher spread0.196 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations123
Published2002
Admission routes1
Has abstractyes

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