MELTING-POINT AND NORMAL BOILING-POINT CORRELATIONS - APPLICATIONS TORIGID AROMATIC-COMPOUNDS

Authors
SIMAMORA P MILLER AH YALKOWSKY SH
Citation
P. Simamora et al., MELTING-POINT AND NORMAL BOILING-POINT CORRELATIONS - APPLICATIONS TORIGID AROMATIC-COMPOUNDS, Journal of chemical information and computer sciences, 33(3), 1993, pp. 437-440
Citations number
24
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Applications & Cybernetics",Chemistry
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
33
Issue
3
Year of publication
1993
Pages
437 - 440
Database
ISI
SICI code
0095-2338(1993)33:3<437:MANBC->2.0.ZU;2-2
Abstract
Simple group contribution approaches have been developed to estimate t he boiling point and melting point of rigid organic molecules based on their chemical structures. The boiling point estimation requires only additive constitutive properties, whereas melting point prediction em ploys additive constitutive properties and symmetry. The effects of in tramolecular hydrogen bonding and the presence of ortho substituents i n biphenyls on the boiling and melting temperatures are discussed.