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Gramatica, P.; Pilutti, P.; Papa, E. Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 2003, 37, 3115–3124.

114 compounds | Property pkNO3: Degradation by NO3 radicals as -logkNO3 [-log(cm3/(s.{molecule}))]

ID Name pkNO3 Details
1 Formaldehyde 15.23 View
2 Methanol 15.68 View
3 2-Propanol 14.64 View
4 Ethane 17.1 View
5 Ethene 15.91 View
6 Ethyne 16.29 View
7 Chloromethane 16.51 View
8 Methanethiol 12 View
9 1-Propyne 15.76 View
10 1-Chloroethene 15.37 View
11 Acetaldehyde 14.61 View
12 Ethanethiol 11.92 View
13 Dichloromethane 17.3 View
14 Dimethyl sulfide 12 View
15 2-Methylpropane 16.01 View
16 1,1-Dichloroethene 14.91 View
17 2-Methylbutane 15.8 View
18 2-Methyl-1,3-butadiene 12.23 View
19 1,1,2-Trichloroethene 15.55 View
20 2,3-Dimethylbutane 15.39 View
21 Camphene 12.18 View
22 α-Pinene 11.24 View
23 β-Caryophyllene 10.72 View
24 1,2-Dimethylbenzene 15.42 View
25 1,2,4-Trimethylbenzene 14.74 View
26 3-Methylpentane 15.69 View
27 α-Phellandrene 10.07 View
28 γ-Terpinene 10.53 View
29 α-Terpinene 9.74 View
30 1-Isopropyl-4-methylbenzene 15 View
31 Methoxybenzene 15.68 View
32 1,3,5-Trimethylbenzene 15.1 View
33 Ethyl propionate 16.46 View
34 1,4-Dimethylbenzene 15.34 View
35 n-Butane 16.18 View
36 1-Butene 13.91 View
37 1,3-Butadiene 13.01 View
38 1-Butyne 15.34 View
39 Acrolein 14.96 View
40 3-Chloro-1-propene 15.27 View
41 Methyl formate 17.52 View
42 2-Methylpentane 15.69 View
43 2,4-Dimethylpentane 15.84 View
44 1,3-Dimethylbenzene 15.63 View
45 1,3,5-Trimethylbenzene 15.1 View
46 Methylbenzene 16.18 View
47 1-Propylacetate 16.3 View
48 n-Pentane 16.09 View
49 Ethyl formate 16.7 View
50 Pyrrole 10.34 View
51 Tetrahydrofuran 14.31 View
52 Furan 11.84 View
53 Thiophene 13.41 View
54 n-Hexane 15.98 View
55 Propyl formate 16.27 View
56 Cyclohexane 15.87 View
57 Cyclohexene 12.28 View
58 Pyridine 15.82 View
59 n-Octane 15.74 View
60 n-Nonane 15.62 View
61 1-Propene 14.13 View
62 Dimethyl ether 14.52 View
63 2-Methyl-1-propene 12.5 View
64 Tetralin 14.06 View
65 Bicyclo(2,2,1)-2,5-heptadiene 11.99 View
66 N,N-Dimethylaniline 15.7 View
67 Myrcene 10.98 View
68 Crotonaldehyde 14.29 View
69 n-Decane 15.59 View
70 β-Pinene 11.63 View
71 Ethyl acetate 16.85 View
72 Cyclopentene 12.33 View
73 n-Heptane 15.86 View
74 cis-1,2-Dichloroethene 15.86 View
75 trans-1,2-Dichloroethene 15.97 View
76 Azulene 9.41 View
77 Diethyl sulfide 11.38 View
78 2,2,3-Trimethylbutane 15.65 View
79 Longifolene 12.17 View
80 1,4-Benzodioxan 15.22 View
81 Bicyclo(2,2,1)-2-heptene 12.61 View
82 2-Butyne 13.17 View
83 2-Methyl-2-butene 11.02 View
84 2,3-Dimethyl-1,3-butadiene 11.64 View
85 1,2,3-Trimethylbenzene 14.73 View
86 2,2,4-Trimethylpentane 16.13 View
87 1,3,5-Cycloheptatriene 11.92 View
88 Methyl propionate 16.48 View
89 2-Carene 10.73 View
90 2,3-Dimethyl-2-butene 10.24 View
91 Terpinolene 10.02 View
92 cis-2-Butene 12.46 View
93 1-Methylcyclohexene 10.77 View
94 1,3-Cyclohexadiene 10.91 View
95 1-Ethyl-3-methylbenzene 15.36 View
96 1-Ethyl-4-methylbenzene 15.21 View
97 trans-2-Butene 12.42 View
98 1-Pentyne 15.12 View
99 1,4-Cyclohexadiene 12.27 View
100 Cycloheptene 12.32 View
101 1-Hexyne 14.8 View
102 Bicyclo(2,2,2)-2-octene 12.84 View
103 cis-1,3-Pentadiene 11.85 View
104 trans-1,3-Pentadiene 11.8 View
105 cis-Ocimene 10.62 View
106 Sabinene 11 View
107 trans-Ocimene 10.98 View
108 1,3-Cycloheptadiene 11.19 View
109 trans-trans-2,4-Hexadiene 10.8 View
110 Limonene 10.95 View
111 α-Humulene 10.46 View
112 3-Carene 11.09 View
113 Ocimene 10.66 View
114 Crotonaldehyde 14.29 View

Bibliography

  1. Atkinson, R. Kinetics and Mechanisms of the Gas‐Phase Reactions of the NO3 Radical with Organic Compounds. J. Phys. Chem. Ref. Data 1991, 20, 459–507. http://dx.doi.org/10.1063/1.555887

  2. EPI Suite (3.10). 2001.