NIST Chemical Kinetics Database with 38,000 Reaction Records

The NIST Chemical Kinetics Database contains over 38,000 separate reaction records for more than 11,700 distinct reactant pairs, abstracted from over 12,000 scientific papers. It provides thermal gas-phase chemical kinetics data, including rate parameters, temperature and pressure ranges, and experimental procedures. Literature coverage extends through early 2000.

Use Cases

• Model reaction rates using Arrhenius parameters (A, n, Ea/R) for specified reactant pairs across temperature and pressure ranges.
• Analyze uncertainty in reported rate parameters (A, n, Ea/R) to assess data reliability for different experimental procedures.
• Search kinetics data by specific reactants or products to compile comparative datasets for theoretical calculation validation.
• Link species data to the NIST WebBook via provided hyperlinks for integrated thermodynamic and spectral analysis.

Strengths

• Over 38,000 separate reaction records provide a substantial foundation for kinetics analysis.
• Data abstracted from more than 12,000 peer-reviewed papers ensures broad literature coverage.
• Records include detailed metadata such as rate parameters, temperature/pressure ranges, and experimental procedure descriptions.

Limitations

• Literature coverage is stale, ending in early 2000, missing over two decades of recent research.
• Data is provided in HTML format, which is not optimal for bulk programmatic analysis and lacks a defined tabular structure.
• The scope is limited to thermal gas-phase reactions, excluding other phases like liquid or solid-state kinetics.

Provenance

Source

National Institute of Standards and Technology (NIST)

Collection Method

Abstracted from published scientific literature.

Time Range

Literature coverage through early 2000.

Freshness

Last updated in July 2022, but primary data coverage ends in early 2000.