Development of Database on Gas-Chromatographic Retention Properties of Organic Compounds
Valeri I. Babushok, Peter J. Linstrom, J J. Reed, I G. Zenkevich, Robert L. Brown, William G. Mallard, Stephen E. Stein
A comprehensive database of gas chromatographic properties of chemical compounds has been developed using multiple literature sources. The collection of retention data for non-polar and polar stationary phases currently contains 292,924 data records for 42,888 compounds. The collection includes data for Kovats indices, linear indices, Lee indices, retention times and retention volumes. The first release of this database is available with NIST/EPA/NIH Mass Spectral Database (June, 2005) and through the internet (NIST Chemistry WebBook). The paper describes the database and the process by which it has been compiled. The format of data presentation and the quality control procedures are described. Data sources of gas chromatographic retention data are also discussed.