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The melting points of oligomethylenes

✍ Scribed by Ton That Minh Tan; Bernd Michael Rode

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
358 KB
Volume
34
Category
Article
ISSN
0887-6266

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✦ Synopsis

Quantitative structure-property relationships (QSPR) between the melting points of oligomethylenes and quantum chemical data calculated by the semiempirical method CNDO/ 2 were investigated. A linear relationship between the average net charges of hydrogen and carbon atoms in the molecules and the melting points could he established, achieving good fit as well as predictability. Further, the relation between the net charges and the chain length was evaluated. The evaluated net charges of polyethylene lead to a calculated melting point of 141.4OC (experimental: 141.4'C).

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