| Abstract: | The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected. |
| Genre: | Article |
| ProdID: | 70006465 |
| Citation Author: | Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N. |
| Citation Contributing Office: | Great Lakes Science Center |
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| Citation End Page: | 185 |
| Citation Issue: | 2 |
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| Citation Language: | English |
| Citation Larger Work Title: | Advances in Environmental Research |
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| Citation Phsyical Description: | 5 p. |
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| Citation Publisher: | Nelson & Commons Communications |
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| Citation Search Results Text: | Estimation of octanol/water partition coefficients using LSER parameters; 1998; Article; Journal; Advances in Environmental Research; Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N. |
| Citation Start Page: | 181 |
| Citation Volume: | 2 |
| Citation Year: | 1998 |
| Type: | citation/reference |
| Text: | Estimation of octanol/water partition coefficients using LSER parameters; 1998; Article; Journal; Advances in Environmental Research; Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N. |
| URL (THUMBNAIL): | http://pubs.er.usgs.gov/thumbnails/outside_thumb.jpg |
| Date Other: | Sun, 1 Jan 2012 00:00 -0600 |
| Publisher: | Nelson & Commons Communications |
