10967/192 - QDB Compounds

QsarDB Repository

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:55
Name:Bis(2-ethylhexyl)phthalate
Description:
Labels:
CAS:117-81-7
InChi Code:InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

Properties

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

ValueSource or prediction
7.32

Sabljic, A.; Guesten, H.; Schoenherr, J.; Riederer, M. Modeling plant uptake of airborne organic chemicals. 1. Plant cuticle/water partitioning and molecular connectivity. Environmental Science & Technology 1990, 24, 1321–1326. http://dx.doi.org/10.1021/es00079a004

8.33

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

Links to External Resources