EXTENSION OF REKKER METHOD FOR THE PREDICTION OF NOCTANOL / WATER COEFFICIENT OF FERROCENE DERIVATIVES

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DC Field	Value	Language
dc.contributor.author	Ridha AHMEDI	-
dc.contributor.author	Touhami LANEZ	-
dc.date.accessioned	2009	-
dc.date.available	2009	-
dc.date.issued	2009	-
dc.identifier.issn	2170-0672	-
dc.identifier.uri	http://dspace.univ-ouargla.dz/jspui/handle/123456789/6420	-
dc.description	AST Annales des Sciences et Technologie	en_US
dc.description.abstract	Octanol/water partition coefficients logP of many selected substituted ferrocenes were predicted by calculation for the first time using the fragmental Rekker method. The calculated values of logP were compared with the experimental values. For estimation of the logP of the selected substituted ferrocenes, the average absolute error of logP is 0.08. Although the obtained values of logP by the proposed method are all very close to the experimental values, the values of logP obtained for ferrocene derivatives that do not contain a bulky group in their structure were significantly better than the results obtained for those containing a bulky group.	en_US
dc.language.iso	en	en_US
dc.relation.ispartofseries	volume 1 numéro 4 AST 2009;	-
dc.subject	logP	en_US
dc.subject	partition coefficient	en_US
dc.subject	ferrocene derivatives	en_US
dc.subject	liquid /liquid extraction	en_US
dc.title	EXTENSION OF REKKER METHOD FOR THE PREDICTION OF NOCTANOL / WATER COEFFICIENT OF FERROCENE DERIVATIVES	en_US
dc.type	Article	en_US
Appears in Collections:	volume 1 numéro 4 AST 2009

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