10967/192 - QDB Compounds

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Kim, S.-J.; Lee, H.; Kwon, J.-H. Measurement of partition coefficients for selected polycyclic aromatic hydrocarbons between isolated plant cuticles and water. Sci. Total Environ. 2014, 494-495, 113–118.

Compound

ID:18
Name:Benzo[a]pyrene
Description:Measured in abaxial layer
Labels:
CAS:50-32-8
InChi Code:InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

Properties

logKcutw: Plant cuticles/water partition coefficient as logKcutw [L/kg(cut)]

ValueSource or prediction
6.94

Kim, S.-J.; Lee, H.; Kwon, J.-H. Measurement of partition coefficients for selected polycyclic aromatic hydrocarbons between isolated plant cuticles and water. Sci. Total Environ. 2014, 494-495, 113–118. http://dx.doi.org/10.1016/j.scitotenv.2014.06.119

7.06

Eq.5: Model for polycyclic aromatic hydrocarbons (Training set)

6.66

Eg.6: Model for nonionic organic chemicals (Training set)

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