A new procedure for the chemical connectivity index application

• EDWARD CORNWELL ^[1]
  1. [1] Universidad de Chile

     Universidad de Chile

     Santiago, Chile

     
• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 49, Nº. 4, 2004, págs. 351-354
• Idioma: inglés
• Enlaces
  • Texto completo
• Resumen

  • Multiplicative numerical factors (Fc) were calculated to modificated each term (d i * d j)-0.5 of ¹c v index. The Fc factors were calculated using: nine linear equations system based on the experimental boiling points (B.points,exper.) of nine saturated hydrocarbons, the type of the molecular two-carbon fragment and the number of hydrogen atoms attached to them, that evaluate the chemical graph vertex of the molecule . It was shown for a group of fifty saturated hydrocarbons that smaller differences were obtained between experimental boiling points (B.points,exper.) and those calculated by each (d i * d j)-0.5 * Fc contribution to ¹c v index , than the differences between boiling points (B.points,exper ) and those calculated by means of the linear correlation f: (B.points,exper. ) Æ ¹c