|
LFLAIR, version 02a
Program LFLAIR estimates lower flammable limit data, by using 2nd order groups like those defined by Benson and Buss*. Potentially, thousands of organic compounds can be constructed from the 59 2nd order groups and structural corrections which are available in version 02a of the program. These compounds include hydrocarbons, chlorine compounds, ethers, aldehydes, ketones, esters, alcohols, acids, and other types of compounds. It is expected that users of program LFLAIR will have at least a modest knowledge of organic chemistry. It will be difficult for persons with no knowledge of chemistry to properly dissect organic molecules into the contributing groups which are required to code the program.
Please see table "LFLAIR Data" for information on the accuracy of our estimation method.
For 346 compounds, which included all of the above mentioned types, the program yielded a mean error of mu = 0.54 % and a standard deviation 10.9%. To view the specific 2nd order groups that are available in program UFLAIR, click on "LFL Entry Screen” or the menu bar.
The program is interactive and it is designed to run Windows 95 or later versions and availible for download or we will ship it on CD for the same price.
Payment can be made by PayPal, online check, or money order payable to Seadata.
License to use the program is granted only to individuals.
The program is availible from Seadata for $25.00.
Correspondence can also be sent to the following Seadata)
* S.W. Benson and J.H. Buss, J. Chem. Phys., vol. 29, 546, (1958).
|
