Ordering of structures as a basis for searches for regularities in thermodynamic properties in isomers of alkanes

Abstract

Paths of length 2, 3 and 4 appear to dominate variations in isomers of alkanes when various thermodn. properties are compared. In the present work, each isomer can be represented as a point in a two-dimensional space (mP2 + P4, P3) (m is 2, 4 and 5 octanes, nonanes, and decanes resp.). By joining adjacent points which have the same m along the coordinate lines authors obtain grid graphs depicting interrelations of isomers, which are defined in the tables of isomeric structures. Basing on the tables, the concept, isomeric no. is proposed. By replacing each of the structures on the tables with the corresponding numerical value for the selected mol. property, one could observe the regularities in the trends in a collection of isomers studied for selected properties.5

Key words: THERMODYNAMIC PROPERTIES, ALKANE, DECANE, STRUCTURE AND PROPERTY CORRELATION, ISOMER, OCTANE, NONANE

CLC Number:

O641

Cite this article

WANG HUAYUN. Ordering of structures as a basis for searches for regularities in thermodynamic properties in isomers of alkanes[J]. Acta Chimica Sinica, 1993, 51(3): 216-223.

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