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:17
Name:Chrysene
Description:Measured in abaxial layer
Labels:
CAS:218-01-9
InChi Code:InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

Properties

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

ValueSource or prediction
6.45

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

6.57

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

6.13

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

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