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Titolo:
Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship
Autore:
Katritzky, AR; Chen, K; Wang, YL; Karelson, M; Lucic, B; Trinajstic, N; Suzuki, T; Schuurmann, G;
Indirizzi:
Univ Florida, Dept Chem, Ctr Heterocycl Cpds, Gainesville, FL 32611 USA Univ Florida Gainesville FL USA 32611 ycl Cpds, Gainesville, FL 32611 USA Univ Tartu, Dept Chem, EE-1014 Tartu, Estonia Univ Tartu Tartu Estonia EE-1014 artu, Dept Chem, EE-1014 Tartu, Estonia Rugjer Boskoviae Inst, HR-10001 Zagreb, Croatia Rugjer Boskoviae Inst Zagreb Croatia HR-10001 , HR-10001 Zagreb, Croatia Tokyo Inst Technol, Resources Utilizat Res Lab, Midori Ku, Yokohama, Kanagawa 226, Japan Tokyo Inst Technol Yokohama Kanagawa Japan 226 ohama, Kanagawa 226, Japan UFZ Ctr Environm Res, Dept Chem Ecotoxicol, D-04318 Leipzig, Germany UFZ Ctr Environm Res Leipzig Germany D-04318 l, D-04318 Leipzig, Germany
Titolo Testata:
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
fascicolo: 1, volume: 13, anno: 2000,
pagine: 80 - 86
SICI:
0894-3230(200001)13:1<80:POLVFO>2.0.ZU;2-3
Fonte:
ISI
Lingua:
ENG
Soggetto:
BOILING POINTS; QSPR; TEMPERATURES; SOLUBILITY; MODEL; WATER;
Keywords:
liquid viscosity; organic compounds; quantitative structure-activity relationship;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
23
Recensione:
Indirizzi per estratti:
Indirizzo: Katritzky, AR Univ Florida, Dept Chem, Ctr Heterocycl Cpds, POB 117200, Gainesville, FL 32611 USA Univ Florida POB 117200 Gainesville FL USA 32611 L 32611 USA
Citazione:
A.R. Katritzky et al., "Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship", J PHYS ORG, 13(1), 2000, pp. 80-86

Abstract

The liquid viscosity of 361 organic compounds containing C, H, N, O, S and/or halogens was investigated using a quantitative structure-property relationship (QSPR) approach, A five-descriptor equation was obtained with a squared correlation coefficient (R-2) of 0.854 and a standard error (S) of 0.22 log units, The data set was divided into three subsets and each of these was cross-validated by the model obtained from the complementary two subsets; the result indicates a high statistical robustness of the overall model. The average absolute error S-2 Of 0.0494 log units is small compared with the overall range of eta of 1490 mPas, Copyright (C) 2000 John Wiley & Sons, Ltd.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 08/04/20 alle ore 08:15:15