Henry's Law Constant Program
Tired of hand calculating evaporation rates from water by hand calculating using the fragment constants? Henry's Law Constant Program calculates the Henry's Law Constant (air/water coefficient) from SMILES notation structure using both the group contribution and the bond contribution method of Hine and Mookerjee. This version of the program features many new fragments with more recent experimental data so that most chemical structures can be calculated. The program will run on any IBM® or IBM-compatible computer with 640K RAM.
Henry's Law Constant Program is used by the U.S. Environmental Protection Agency (EPA), and it will be valuable for environmental chemists, engineers, or anyone who wants to calculate the Henry's Law Constant for partitioning a chemical between water and air.