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Data · dataset · 2026

Supplementary Material for: A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point

Listed in DaRUS

Description

This dataset contains the substances used in in the related publication (.csv files), the adjusted group contribution parameters for the ideal gas heat capacity, the normal boiling point and the critical temperature, individually adjusted ideal gas heat capacity parameters (.csv files), the first and second order candidate groups (.py files) and python code to calculate the properties. Examplary python notebooks to execute the code are provided.

The necessary dependencies/package versions to run the code are provided via the uv-package.

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Where it is published

Catalogue records · 1

Topics

Stated by source
Chemistry · Engineering
From keywords
Chemistry · Engineering
Provenance · 1 source records, 11 field assertions
SourceKeyLast seenRaw
DaRUSdoi:10.18419/DARUS-529812 d agoJSON v1
FieldAssertionExtractorEvidence
concepts[field].anzsrc:group:4012enrichment · darus uni stuttgart detaxonomy-embedding@1.1.0title+keywords+description (69%)
concepts[field].dataverse_subject:chemistrysource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
concepts[field].dataverse_subject:engineeringsource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
concepts[field].local:field:chemistrymapping · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
concepts[field].local:field:engineeringmapping · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
created_datesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0
descriptionsource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/description
publication_datesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0
titlesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/name
updated_datesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0
version_labelsource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0