Use the same powerful software package that has been the standard at the U.S. and German Environmental Protection Agencies for estimating atmospheric degradation rates. Atmospheric Oxidation Rate Program quickly and accurately estimates the gas-phase reaction rate between organic chemicals and hydroxyl radicals using estimation methods developed by Dr. Roger Atkinson. Ozone reaction rates can also be estimated for olefinic and acetylenic compounds. The program calculates hydroxyl radical and ozone rate constants, and you can enter chemical structures using SMILES notation. The atmospheric half-life is estimated using an average hydroxyl radical concentration and an average ozone concentration. The program will run on any IBM® or IBM-compatible computer with 350K RAM. Atmospheric Oxidation Rate Program will be an indispensable tool for environmental chemists, engineers, toxicologists, atmospheric scientists and regulators.
Soil/Sediment Adsorption Constant Program uses the SMILES notation structural input to calculate the soil or sediment adsorption coefficient (Koc) from a correlation of the molecular connectivity indices and correction factors for certain chemical classes. This method was developed by the U.S. Environmental Protection Agency's (EPA) Office of Toxic Substances and is now available for use on any IBM® or IBM-compatible computer with 240K RAM. This powerful, user-friendly program provides reliable data that will benefit any environmental chemist or regulator, chemical companies, and analytical labs.
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.
A powerful PC-based program designed for regulatory screening and prioritizing and industrial screening of chemicals Take the guesswork out of calculating the probability of a chemical biodegrading rapidly or slowly under anaerobic conditions in a mixed culture of microorganisms. Biodegradation Probability Program does the calculations for you using fragment constants developed with multiple linear and non-linear regressions and data from Syracuse Research Corporation's evaluation biodegradation database (BIODEG). The program will run on any IBM® or IBM-compatible computer with 260K RAM. Biodegradation Probability Program is already being used by the U.S. Environmental Protection Agency (EPA) and major chemical companies. It is indispensable for environmental professionals and regulatory people who need to predict biodegradibility for chemicals lacking experimental data. The program will be of special interest to all remediation firms working with biodegradation technologies.
Now you can calculate hydrolysis rates for chemicals without experimental data using the Hydrolysis Rate Program. This powerful software package calculates the hydrolysis rate constant for esters, carbamates, halomethanes, alkyl halides, and epoxides using the method developed by the U.S. Environmental Protection Agency's (EPA) Office of Toxic Substances. The program uses SMILES notation structural input to calculate a second-order acid- or base-catalyzed hydrolysis rate constant at 25° C. Acid- and base-catalyzed half-lives are calculated for pH7 and/or pH8. Hydrolysis Rate Program will run on any IBM® or IBM-compatible personal computer with 320K RAM and will be a valuable asset for any environmental chemist, analytical lab, regulator, or chemical company.
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