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

Author(s): Anna Mozrzymas, Bozenna Rozycka-Roszak.

Journal Name: Combinatorial Chemistry & High Throughput Screening
Accelerated Technologies for Biotechnology, Bioassays, Medicinal Chemistry and Natural Products Research

Volume 13 , Issue 1 , 2010

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Abstract:

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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Article Details

VOLUME: 13
ISSUE: 1
Year: 2010
Page: [39 - 44]
Pages: 6
DOI: 10.2174/138620710790218195

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