10967/190 - QDB Compounds

QsarDB Repository

Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.

36 compounds | Property logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

IDNamelogKMXaDetails
11,1,1-trichloroethane2.58View
21,2-dichloroethane2.771View
31,2-dichloropropane2.886View
41-butanol3.699View
51-hexanol4.518View
61-nitropropane3.4View
71-pentanol4.114View
81-propanol3.255View
92-butanol3.301View
102-butanone2.556View
112-hexanol4.079View
122-methyl-2-butanol3.362View
132-pentanol3.681View
142-propanol2.881View
153-methyl-3-pentanol3.69View
164-methyl-2-pentanone3.041View
17Acetone2.398View
18Benzene2.634View
19Chlorobenzene3.518View
20Chloroform2.634View
21Cyclohexane2.23View
22Dichloromethane2.38View
23Ethanol2.806View
24Ethyl acetate2.532View
25Ethylbenzene3.398View
26Isobutanol3.415View
27Methanol2.653View
28n-butyl acetate3.279View
29n-heptane2.505View
30n-propyl acetate2.851View
31o-xylene3.556View
32Styrene3.74View
33Tetrahydrofuran2.672View
34Toluene3.146View
35Trichloroethylene2.881View
36Pyridine i3.826View

Bibliography

  1. Welke, B.; Ettlinger, K.; Riederer, M. Sorption of Volatile Organic Chemicals in Plant Surfaces. Environmental Science & Technology 1998, 32, 1099–1104. https://doi.org/10.1021/es970763v