Molecular hard-sphere volume increments

Molecular hard-sphere volumes derived from the analysis of the high-pressure equation of state data are extended to include a total of nearly 100 compounds. A subset of these are converted to molecular subgroup increments, which allow the prediction of effective hard sphere volumes and diameters for a wide variety of polyatomic molecules. Shorter chain compounds, which can be viewed as substituted methanes (or silanes) with halide, CN, OH, and CH 3 substituents are represented by one set of 11 volume increments. Long-chain compounds (with chain lengths of 418) including linear and branched alkanes, alkenes, ethers, alcohols, haloalkanes, ketones, and benzene derivatives are described by an independent set of 20 volume increments