REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/223 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for abiotic degradation in air. Q13-22a-0034. Molcode Ltd., 2010.

250 compounds | Property logT(0.5): Degradation half-life in air [log(h)]

ID Name logT(0.5) Details
1 phenol 1.23 View
2 3-methylpyridine 2.74 View
3 cyclohexanol 1.74 View
4 cyclohexanone 1.74 View
5 1-pentene 0.699 View
6 n-butyl amine 1.23 View
7 furan 1.23 View
8 thiophene 1.74 View
9 2-chloroethyl vinyl ether 1.23 View
10 cyclohexane 1.23 View
11 2-heptanone 1.74 View
12 butanoic acid 1.74 View
13 2-pentanone 1.74 View
14 chloromethyl methyl ether 1.23 View
15 m-Xylene 1.23 View
16 4-methyl-2-pentanone 1.74 View
17 vinyl acetate 1.74 View
18 bromobenzene 2.23 View
19 1,3,5-trimethylbenzene 1.23 View
20 cyclohexylamine 0.699 View
21 4-methylpyridine 2.74 View
22 methylbenzene 1.23 View
23 anisole 1.23 View
24 diphenyl ether 1.23 View
25 n-propylbenzene 1.23 View
26 2,4-dimethylphenol 1.23 View
27 1,4-dichlorobenzene 2.74 View
28 4-chloroaniline 0.699 View
29 1,3-butadiene 0.699 View
30 acrolein 0.699 View
31 1,2-dichloroethane 3.23 View
32 acrylonitrile 1.74 View
33 ethylene glycol 1.74 View
34 1,2,4-trimethylbenzene 1.23 View
35 1,2,3-trichloropropane 2.74 View
36 styrene oxide 1.23 View
37 iso-propylbenzene 1.23 View
38 4-nitrophenol 1.74 View
39 4-nitrotoluene 1.23 View
40 styrene 0.699 View
41 quinoline 1.74 View
42 2-naphthalamine 0.699 View
43 1-methylnaphthalene 1.23 View
44 phthalic acid 1.74 View
45 2-methoxyphenol 1.23 View
46 2-nitrophenol 1.74 View
47 o-Cresol 0.699 View
48 1,2-dichlorobenzene 2.74 View
49 o-Xylene 1.23 View
50 2,4-D 1.23 View
51 benzidine 0.699 View
52 1,1,2,2-tetrachloroethane 4.23 View
53 methyl acetate 1.74 View
54 chloroacetic acid 2.74 View
55 trichloroethylene 2.23 View
56 1,2-dichloropropane 2.74 View
57 2,4,6-trichlorophenol 2.23 View
58 2,6-dimethylbenzamine 0.699 View
59 fluorene 1.74 View
60 butylbenzyl phthalate 1.74 View
61 phenanthrene 1.74 View
62 dibutyl phthalate 1.74 View
63 diethyl phthalate 2.23 View
64 methoxychlor 1.23 View
65 p,p'-DDE 2.23 View
66 bromochloromethane 2.74 View
67 propanol 1.74 View
68 1-butanol 1.74 View
69 1-pentanol 1.74 View
70 tert-butyl alcohol 2.23 View
71 dalapon 2.74 View
72 2-Methyl-1-propanol 1.74 View
73 ethylamine 1.23 View
74 ethanal 0.699 View
75 dichloromethane 3.23 View
76 methanamine, N-methyl-N-nitroso- 0.699 View
77 formic acid 2.23 View
78 ethanol 1.74 View
79 acetamide 1.23 View
80 thioacetamide 1.23 View
81 aniline 0.699 View
82 chloroform 3.23 View
83 salicylic acid 1.74 View
84 hexachloroethane 4.23 View
85 benzoic acid 1.74 View
86 isopropanol 1.74 View
87 methanol 2.23 View
88 benzamide 1.23 View
89 2-Chlorodibenzo-4-dioxin 2.23 View
90 2,2',3,3',4,5,5',6,6'-nonachlorobiphenyl i 4.23 View
91 parathion 1.23 View
92 octachlorodibenzofuran 2.74 View
93 1,2,3,4,7-pentachlorodibenzo-p-dioxin 2.74 View
94 benz[a]anthracene 2.23 View
95 1,2,4-trichlorodibenzo-p-dioxin 2.23 View
96 ethyl ether 1.23 View
97 metolachlor 2.23 View
98 gamma-hexachlorocyclohexane 2.23 View
99 2,3,7,8-TCDF 2.23 View
100 3,3',4,4',5,5'-hexachlorobiphenyl i 3.74 View
101 2,2',3,3',4,5,6-heptachlorobiphenyl 3.74 View
102 2,3,3',4',5'-pentachlorobiphenyl i 3.23 View
103 2,7-dichlorodibenzo-p-dioxin 2.23 View
104 benzo[a]pyrene 2.23 View
105 1,2,3,4-tetrachlorodibenzo-p-dioxin 2.23 View
106 p,p'-DDT 2.23 View
107 octachlorodibenzo-p-dioxin 2.74 View
108 4-chlorophenyl phenyl ether 1.23 View
109 2,8-dichlorodibenzofuran 2.23 View
110 toxaphene i 2.23 View
111 mecoprop 1.23 View
112 atrazine 0.699 View
113 2,3,7,8-TCDD 2.23 View
114 decachlorobiphenyl 4.74 View
115 dicamba 1.74 View
116 diallate 1.23 View
117 3-chlorobiphenyl 2.23 View
118 1,2,3,4-tetrachlorobenzene 3.23 View
119 1,2,3,5-tetrachlorobenzene 3.23 View
120 1-hexyne 0.699 View
121 EPTC 1.23 View
122 1-ethylnaphthalene 1.23 View
123 trifluralin 2.23 View
124 methyl t-butyl ether 1.23 View
125 allyl acetate 1.74 View
126 vinylacetic acid 1.23 View
127 1,4-cyclohexadiene 0.699 View
128 pentyl acetate 1.74 View
129 2-hexanone 1.74 View
130 1,3-dichlorobenzene 2.74 View
131 1,2,3-trimethylbenzene 1.23 View
132 indane 1.23 View
133 fluorobenzene 1.23 View
134 linuron 1.23 View
135 diuron 1.23 View
136 delta-hexachlorocyclohexane 2.23 View
137 parathion methyl 1.23 View
138 chrysene 2.23 View
139 cyclopentane 1.23 View
140 benzo[k]fluoranthene 2.23 View
141 ethyl acetate 1.74 View
142 thiram 2.23 View
143 1-naphthylamine 0.699 View
144 pyrene 2.23 View
145 dimethyl phthalate 2.23 View
146 dimethylamine 0.699 View
147 chloroprene 1.74 View
148 butyl acetate 1.74 View
149 butanal 0.699 View
150 propanal 0.699 View
151 diphenylamine 0.699 View
152 2,4-dichlorophenol 1.74 View
153 n,n-dimethylaniline 0.699 View
154 benzophenone 2.74 View
155 2-chlorobenzoic acid 2.23 View
156 catechol 1.23 View
157 anthracene 1.74 View
158 aldicarb 0.699 View
159 hexachlorobenzene 4.23 View
160 1-octanol 1.74 View
161 bis(2-chloroethoxy)methane 1.23 View
162 di-n-propyl ether 1.23 View
163 bis(2-chloroethyl)ether 1.23 View
164 octane 1.23 View
165 cyclohexene 0.699 View
166 1-hexanol 1.74 View
167 diethanolamine 0.699 View
168 propyl acetate 1.74 View
169 pentane 1.23 View
170 ethyl formate 1.74 View
171 tetrahydrofuran 1.23 View
172 hexane 1.23 View
173 dibenz[a,h]anthracene 2.23 View
174 methyl formate 1.74 View
175 2,8-dichlorodibenzo-p-dioxin 2.23 View
176 carbon tetrachloride 4.23 View
177 chlordane 1.74 View
178 bis-(2-chloroisopropyl) ether 1.23 View
179 methylcyclohexane 1.23 View
180 1,3,5-trichlorobenzene 2.74 View
181 2,2'-dichlorobiphenyl i 2.23 View
182 chlorobenzene 2.23 View
183 1,2,3,4,6,7,8-heptachlorodibenzo-p-dioxin 2.74 View
184 isopropalin 1.23 View
185 benzyl alcohol 1.74 View
186 o,p'-DDE 2.23 View
187 phenylacetic acid 1.74 View
188 p-Xylene 1.23 View
189 2,3,4-trichlorobiphenyl 2.74 View
190 benomyl 0.699 View
191 propionitrile 3.23 View
192 allyl alcohol 1.74 View
193 tetrachloroguaiacol 2.23 View
194 triallate 2.23 View
195 2-methylbenzenamine 0.699 View
196 2-chloroaniline 1.74 View
197 1,2,4,5-tetramethylbenzene 1.23 View
198 2,4,5-trichlorophenol 2.23 View
199 1,2,4,5-tetrachlorobenzene 3.23 View
200 carbofuran 0.699 View
201 3-pentanone 1.74 View
202 1,4-pentadiene 0.699 View
203 nitrobenzene 0.699 View
204 butyl formate 1.74 View
205 acetophenone 2.74 View
206 pentachlorobenzene 3.74 View
207 N-Nitrosodipropylamine 0.699 View
208 ethylbenzene 1.23 View
209 iodobenzene 2.23 View
210 2,3-dimethylnaphthalene 1.23 View
211 naphthalene 1.23 View
212 Bis(chloromethyl)ether 1.23 View
213 4,6-dinitro-o-cresol 2.23 View
214 2-nitrotoluene 1.23 View
215 diazinon 2.74 View
216 benzo[b]thiophene 2.23 View
217 2,4-DB 1.74 View
218 aldrin 0.699 View
219 1,1'-biphenyl 1.74 View
220 cyclooctane 1.23 View
221 methyl methacrylate 1.23 View
222 fluoranthene 2.23 View
223 acrylic acid 1.23 View
224 hexanoic acid 1.74 View
225 perylene 2.23 View
226 2-butanone 2.23 View
227 cyclopentene 0.699 View
228 ethanolamine 0.699 View
229 dibenzofuran 1.74 View
230 diphenylnitrosoamine 0.699 View
231 decane 1.23 View
232 vinyl chloride 1.74 View
233 1,4-dioxane 1.23 View
234 simazine 1.74 View
235 malathion 1.23 View
236 benzene 1.23 View
237 1,2,4-trichlorobenzene 2.74 View
238 pentachloroethane 4.23 View
239 2,4-dinitrotoluene 1.23 View
240 bromodichloromethane 2.74 View
241 1-naphthalenol, methylcarbamate 1.74 View
242 dimethyl ether 1.23 View
243 2-methylbenzoic acid 1.74 View
244 dieldrin 1.74 View
245 dodecane 1.23 View
246 propoxur 0.699 View
247 acetone 3.23 View
248 1-octene 0.699 View
249 acetic acid 1.74 View
250 pyridine 2.74 View

Bibliography

  1. Mackay, D.; Shiu, W. Y.; Ma, K.-C. Chapman and Hall/CRC: 2000.