Perspective on the Relationship between Melting Points
and Chemical Structure

Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Uko Maran, and Mati Karelson

Abstract:

The importance of melting points in characterization, in the estimation of other physical properties and toxicity, and in practical applications such as ionic liquids is summarized, as are difficulties in the systematic treatment of melting points in terms of QSPR. Classical correlations of melting points of congeneric and diverse sets are discussed together with group contribution methods, combined approaches, and computer simulations.