Pregled bibliografske jedinice broj: 40707
Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship
Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship // Journal of physical organic chemistry, 13 (2000), 1; 80-86 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 40707 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship
Autori
Katritzky, A.R. ; Chen, K. ; Wang, Y. ; Karelson, M. ; Lučić, Bono ; Trinajstić, Nenad ; Suzuki, T. ; Schüürmann, G.
Izvornik
Journal of physical organic chemistry (0894-3230) 13
(2000), 1;
80-86
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
-
Sažetak
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.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
Uključenost u ostale bibliografske baze podataka::
- Chemical Abstracts
- Chemical Abstracts
- Chemical Abstracts
