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- ISSN: 1386-2073
- E-ISSN: 1875-5402
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Prediction of Critical Micelle Concentration of Nonionic Surfactants by a Quantitative Structure – Property Relationship
- Source: Combinatorial Chemistry & High Throughput Screening, Volume 13, Issue 1, Jan 2010, p. 39 - 44
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- 01 Jan 2010
Abstract
A quantitative structure &ndash 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.
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