Browsing Miscellaneous publications (by other authors) by Journal "Chemosphere"

Showing items 1-4 of 4

Lu, G.-H.; Yuan, X.; Zhao, Y.-H. QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus). Chemosphere 2001, 44, 437–440.

Published: Iiris Kahn (2015-03-31)

Abstract: 50% effective inhibition concentration 48h-EC50 of 40 substituted benzenes to the algae (Scenedesmus obliquus) was determined. The energy of the lowest unoccupied molecular orbital (ELUMO) was calculated by the quantum chemical method MOPAC6.0-AM1. By using ELUMO and the hydrophobicity parameter log Kow the quantitative structure–activity relationship model ...

EcoTox Regression
Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Published: Geven Piir (2016-10-07)

Abstract: The general solubility equation (GSE) proposed by Jain and Yalkowsky was used to estimate aqueous solubility of 1026 non-electrolytes. The only parameters used in the GSE are melting points (MP) and octanol–water partition coeﬃcients (Kow). No ﬁtted parameters and no training set are employed in the GSE. The experimental solubility values were taken from ...

PhysChem Regression
Sun, H.; Huang, G.; Dal, S. Adsorption behaviour and qspr studies of organotin compounds on estuarine sediment. Chemosphere 1996, 33, 831–838.

Published: Geven Piir (2017-05-05)

Abstract: The adsorption behaviour of eight organotin species and Sn4+ (SnCl4) on estuarine sediments has been reported for the first time. It was found that the adsorption of organotins varies greatly with molecular structure. The order of adsorption coefficient k is Sn4+ > mono- > di-> tri-organotins. Correlations of log k with eight different structural parameters ...

EnvironFate Regression
Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Published: Priit Ahte (2015-05-28)

Abstract: The hydrophobic parameter represented by the octanol/water partition coefficient (logP) is commonly used to predict the soil sorption coefficient (Koc). However, a simple non-linear relationship between logKoc and logP has not been reported in the literature. In the present paper, soil sorption data for 701 compounds was investigated. The results show that ...

EnvironFate Regression

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Browsing Miscellaneous publications (by other authors) by Journal "Chemosphere"

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