Abstract

The UPPER scheme uses four additive and two nonadditive parameters and several well‐known equations to calculate 21 physical properties of organic compounds strictly from molecular structure. The scheme allows reasonable estimations of melting and boiling points, aqueous and octanol solubilities, air–octanol, air–water, and octanol–water partition coefficients, vapor pressure, and other properties. In this report non‐hydrogen bonding aromatic compounds are used to evaluate a portion of the UPPER scheme.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.