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Combinatorial Chemistry & High Throughput Screening


ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

Prediction of Critical Micelle Concentration of Nonionic Surfactants by a Quantitative Structure – Property Relationship

Author(s): Anna Mozrzymas and Bozenna Rozycka-Roszak

Volume 13, Issue 1, 2010

Page: [39 - 44] Pages: 6

DOI: 10.2174/138620710790218195

Price: $65


A quantitative structure – property relationship (QSPR) was used to predict the critical micelle concentration (cmc) of nonionic surfactants. The relation was developed for a diverse set of 23 nonionic surfactants (r = 0.99, F-test = 1042.5) employing the connectivity and valence connectivity indices only. The molecular connectivity indices were calculated for the whole molecule which was a simple and general approach.

Keywords: Nonionic surfactants, QSPR, cmc, connectivity indices

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