query.citation.RdCreate a data frame with all estimated and experimental KOA values from the citations in the query.
query.citation(query, more.info = F, ver = "upd")
| query | Citation, either a single input or a vector. Use function ref.table() to get a list of citations in the database. |
|---|---|
| more.info | When FALSE (default), returns fewer columns from the chemical, methods, and reference tables. When TRUE, additional details on the chemical (category, synonyms, molar mass), methods (wet/dry octanol, type of value reported, type of method), and reference (group/team). |
| ver | Version of the database. Default is upd, for the latest version. |
A data frame containing KOA data from the citations included in the query.
Other Queries:
query.cas(),
query.category(),
query.group(),
query.mass(),
query.meth.type(),
query.meth(),
query.name()
query.citation("Lei et al. 2019")#> Cas_No Chemical_Name Temp log_KOA Ranking Type Method_Bin #> 1 67-64-1 Acetone 25 2.320000 4 EXP HS #> 2 67-64-1 Acetone 37 2.190000 4 EXP HS #> 3 67-64-1 Acetone 40 2.167317 4 EXP HS #> 4 67-64-1 Acetone 50 2.025306 4 EXP HS #> 5 67-64-1 Acetone 60 2.000000 4 EXP HS #> 6 67-64-1 Acetone 80 1.792392 4 EXP HS #> 7 67-64-1 Acetone 90 1.724276 4 EXP HS #> 8 67-64-1 Acetone 100 1.623249 4 EXP HS #> 9 71-23-8 Propanol 25 3.820000 4 EXP HS #> 10 71-23-8 Propanol 37 3.520000 4 EXP HS #> 11 71-23-8 Propanol 40 3.445915 4 EXP HS #> 12 71-23-8 Propanol 50 3.221675 4 EXP HS #> 13 71-23-8 Propanol 60 3.005609 4 EXP HS #> 14 71-23-8 Propanol 70 2.784617 4 EXP HS #> 15 71-23-8 Propanol 80 2.587711 4 EXP HS #> 16 71-23-8 Propanol 90 2.418301 4 EXP HS #> 17 71-23-8 Propanol 100 2.267172 4 EXP HS #> 18 71-36-3 Butanol 25 4.100000 4 EXP HS #> 19 71-36-3 Butanol 37 3.810000 4 EXP HS #> 20 71-36-3 Butanol 40 3.643946 4 EXP HS #> 21 71-36-3 Butanol 50 3.410946 4 EXP HS #> 22 71-36-3 Butanol 60 3.317227 4 EXP HS #> 23 71-36-3 Butanol 70 3.118595 4 EXP HS #> 24 71-36-3 Butanol 80 2.938019 4 EXP HS #> 25 71-36-3 Butanol 90 2.781755 4 EXP HS #> 26 71-36-3 Butanol 100 2.595496 4 EXP HS #> 27 1975-05-08 Acetonitrile 25 2.270000 4 EXP HS #> 28 1975-05-08 Acetonitrile 37 2.140000 4 EXP HS #> 29 1975-05-08 Acetonitrile 40 2.110590 4 EXP HS #> 30 1975-05-08 Acetonitrile 50 1.968483 4 EXP HS #> 31 1975-05-08 Acetonitrile 60 1.924279 4 EXP HS #> 32 1975-05-08 Acetonitrile 70 1.851258 4 EXP HS #> 33 1975-05-08 Acetonitrile 80 1.732394 4 EXP HS #> 34 1975-05-08 Acetonitrile 90 1.633468 4 EXP HS #> 35 1975-05-08 Acetonitrile 100 1.579784 4 EXP HS #> 36 106-42-3 p-Xylene 25 3.590000 4 EXP HS #> 37 106-42-3 p-Xylene 37 3.390000 4 EXP HS #> 38 106-42-3 p-Xylene 70 2.885361 4 EXP HS #> 39 106-42-3 p-Xylene 80 2.808211 4 EXP HS #> 40 106-42-3 p-Xylene 90 2.673942 4 EXP HS #> 41 106-42-3 p-Xylene 100 2.532754 4 EXP HS #> 42 106-42-3 p-Xylene 110 2.457882 4 EXP HS #> 43 107-06-2 1,2-Dichloroethane 25 2.730000 4 EXP HS #> 44 107-06-2 1,2-Dichloroethane 37 2.570000 4 EXP HS #> 45 107-06-2 1,2-Dichloroethane 40 2.525045 4 EXP HS #> 46 107-06-2 1,2-Dichloroethane 50 2.380211 4 EXP HS #> 47 107-06-2 1,2-Dichloroethane 60 2.350248 4 EXP HS #> 48 107-06-2 1,2-Dichloroethane 70 2.206826 4 EXP HS #> 49 107-06-2 1,2-Dichloroethane 80 2.096910 4 EXP HS #> 50 107-06-2 1,2-Dichloroethane 90 1.973128 4 EXP HS #> 51 107-06-2 1,2-Dichloroethane 100 1.897627 4 EXP HS #> 52 141-78-6 Ethyl acetate 25 2.630000 4 EXP HS #> 53 141-78-6 Ethyl acetate 37 2.480000 4 EXP HS #> 54 141-78-6 Ethyl acetate 40 2.401401 4 EXP HS #> 55 141-78-6 Ethyl acetate 50 2.357935 4 EXP HS #> 56 141-78-6 Ethyl acetate 60 2.305351 4 EXP HS #> 57 141-78-6 Ethyl acetate 70 2.149219 4 EXP HS #> 58 141-78-6 Ethyl acetate 80 2.049218 4 EXP HS #> 59 141-78-6 Ethyl acetate 90 1.968483 4 EXP HS #> 60 141-78-6 Ethyl acetate 100 1.875061 4 EXP HS #> 61 541-73-1 1,3-Dichlorobenzene 25 4.170000 4 EXP HS #> 62 541-73-1 1,3-Dichlorobenzene 37 3.940000 4 EXP HS #> 63 541-73-1 1,3-Dichlorobenzene 80 3.247973 4 EXP HS #> 64 541-73-1 1,3-Dichlorobenzene 90 3.111263 4 EXP HS #> 65 541-73-1 1,3-Dichlorobenzene 100 2.992554 4 EXP HS #> 66 541-73-1 1,3-Dichlorobenzene 110 2.845718 4 EXP HS #> 67 493-02-7 trans-decalin 25 4.200000 4 EXP HS #> 68 493-02-7 trans-decalin 37 3.980000 4 EXP HS #> 69 493-02-7 trans-decalin 80 3.331225 4 EXP HS #> 70 493-02-7 trans-decalin 90 3.177825 4 EXP HS #> 71 493-02-7 trans-decalin 100 3.118926 4 EXP HS #> 72 493-02-7 trans-decalin 110 2.938019 4 EXP HS #> 73 488-23-3 1,2,3,4-Tetramethylbenzene 25 4.400000 4 EXP HS #> 74 488-23-3 1,2,3,4-Tetramethylbenzene 37 4.300000 4 EXP HS #> 75 488-23-3 1,2,3,4-Tetramethylbenzene 80 3.719331 4 EXP HS #> 76 488-23-3 1,2,3,4-Tetramethylbenzene 90 3.568554 4 EXP HS #> 77 488-23-3 1,2,3,4-Tetramethylbenzene 100 3.533009 4 EXP HS #> 78 488-23-3 1,2,3,4-Tetramethylbenzene 110 3.378761 4 EXP HS #> Citation Reliability Comment #> 1 Lei et al. 2019 <NA> <NA> #> 2 Lei et al. 2019 <NA> <NA> #> 3 Lei et al. 2019 <NA> <NA> #> 4 Lei et al. 2019 <NA> <NA> #> 5 Lei et al. 2019 <NA> <NA> #> 6 Lei et al. 2019 <NA> <NA> #> 7 Lei et al. 2019 <NA> <NA> #> 8 Lei et al. 2019 <NA> <NA> #> 9 Lei et al. 2019 <NA> <NA> #> 10 Lei et al. 2019 <NA> <NA> #> 11 Lei et al. 2019 <NA> <NA> #> 12 Lei et al. 2019 <NA> <NA> #> 13 Lei et al. 2019 <NA> <NA> #> 14 Lei et al. 2019 <NA> <NA> #> 15 Lei et al. 2019 <NA> <NA> #> 16 Lei et al. 2019 <NA> <NA> #> 17 Lei et al. 2019 <NA> <NA> #> 18 Lei et al. 2019 <NA> <NA> #> 19 Lei et al. 2019 <NA> <NA> #> 20 Lei et al. 2019 <NA> <NA> #> 21 Lei et al. 2019 <NA> <NA> #> 22 Lei et al. 2019 <NA> <NA> #> 23 Lei et al. 2019 <NA> <NA> #> 24 Lei et al. 2019 <NA> <NA> #> 25 Lei et al. 2019 <NA> <NA> #> 26 Lei et al. 2019 <NA> <NA> #> 27 Lei et al. 2019 <NA> <NA> #> 28 Lei et al. 2019 <NA> <NA> #> 29 Lei et al. 2019 <NA> <NA> #> 30 Lei et al. 2019 <NA> <NA> #> 31 Lei et al. 2019 <NA> <NA> #> 32 Lei et al. 2019 <NA> <NA> #> 33 Lei et al. 2019 <NA> <NA> #> 34 Lei et al. 2019 <NA> <NA> #> 35 Lei et al. 2019 <NA> <NA> #> 36 Lei et al. 2019 <NA> <NA> #> 37 Lei et al. 2019 <NA> <NA> #> 38 Lei et al. 2019 <NA> <NA> #> 39 Lei et al. 2019 <NA> <NA> #> 40 Lei et al. 2019 <NA> <NA> #> 41 Lei et al. 2019 <NA> <NA> #> 42 Lei et al. 2019 <NA> <NA> #> 43 Lei et al. 2019 <NA> <NA> #> 44 Lei et al. 2019 <NA> <NA> #> 45 Lei et al. 2019 <NA> <NA> #> 46 Lei et al. 2019 <NA> <NA> #> 47 Lei et al. 2019 <NA> <NA> #> 48 Lei et al. 2019 <NA> <NA> #> 49 Lei et al. 2019 <NA> <NA> #> 50 Lei et al. 2019 <NA> <NA> #> 51 Lei et al. 2019 <NA> <NA> #> 52 Lei et al. 2019 <NA> <NA> #> 53 Lei et al. 2019 <NA> <NA> #> 54 Lei et al. 2019 <NA> <NA> #> 55 Lei et al. 2019 <NA> <NA> #> 56 Lei et al. 2019 <NA> <NA> #> 57 Lei et al. 2019 <NA> <NA> #> 58 Lei et al. 2019 <NA> <NA> #> 59 Lei et al. 2019 <NA> <NA> #> 60 Lei et al. 2019 <NA> <NA> #> 61 Lei et al. 2019 <NA> <NA> #> 62 Lei et al. 2019 <NA> <NA> #> 63 Lei et al. 2019 <NA> <NA> #> 64 Lei et al. 2019 <NA> <NA> #> 65 Lei et al. 2019 <NA> <NA> #> 66 Lei et al. 2019 <NA> <NA> #> 67 Lei et al. 2019 <NA> <NA> #> 68 Lei et al. 2019 <NA> <NA> #> 69 Lei et al. 2019 <NA> <NA> #> 70 Lei et al. 2019 <NA> <NA> #> 71 Lei et al. 2019 <NA> <NA> #> 72 Lei et al. 2019 <NA> <NA> #> 73 Lei et al. 2019 <NA> <NA> #> 74 Lei et al. 2019 <NA> <NA> #> 75 Lei et al. 2019 <NA> <NA> #> 76 Lei et al. 2019 <NA> <NA> #> 77 Lei et al. 2019 <NA> <NA> #> 78 Lei et al. 2019 <NA> <NA>#> Cas_No Chemical_Name Temp log_KOA Ranking Type #> 1 75-52-5 Nitromethane 25.01 2.584310 3 EXP #> 2 108-88-3 Toluene 25.01 3.292741 3 EXP #> 3 67-64-1 Acetone 25.00 2.320000 4 EXP #> 4 67-64-1 Acetone 37.00 2.190000 4 EXP #> 5 67-64-1 Acetone 40.00 2.167317 4 EXP #> 6 67-64-1 Acetone 50.00 2.025306 4 EXP #> 7 67-64-1 Acetone 60.00 2.000000 4 EXP #> 8 67-64-1 Acetone 80.00 1.792392 4 EXP #> 9 67-64-1 Acetone 90.00 1.724276 4 EXP #> 10 67-64-1 Acetone 100.00 1.623249 4 EXP #> 11 71-23-8 Propanol 25.00 3.820000 4 EXP #> 12 71-23-8 Propanol 37.00 3.520000 4 EXP #> 13 71-23-8 Propanol 40.00 3.445915 4 EXP #> 14 71-23-8 Propanol 50.00 3.221675 4 EXP #> 15 71-23-8 Propanol 60.00 3.005609 4 EXP #> 16 71-23-8 Propanol 70.00 2.784617 4 EXP #> 17 71-23-8 Propanol 80.00 2.587711 4 EXP #> 18 71-23-8 Propanol 90.00 2.418301 4 EXP #> 19 71-23-8 Propanol 100.00 2.267172 4 EXP #> 20 71-36-3 Butanol 25.00 4.100000 4 EXP #> 21 71-36-3 Butanol 37.00 3.810000 4 EXP #> 22 71-36-3 Butanol 40.00 3.643946 4 EXP #> 23 71-36-3 Butanol 50.00 3.410946 4 EXP #> 24 71-36-3 Butanol 60.00 3.317227 4 EXP #> 25 71-36-3 Butanol 70.00 3.118595 4 EXP #> 26 71-36-3 Butanol 80.00 2.938019 4 EXP #> 27 71-36-3 Butanol 90.00 2.781755 4 EXP #> 28 71-36-3 Butanol 100.00 2.595496 4 EXP #> 29 1975-05-08 Acetonitrile 25.00 2.270000 4 EXP #> 30 1975-05-08 Acetonitrile 37.00 2.140000 4 EXP #> 31 1975-05-08 Acetonitrile 40.00 2.110590 4 EXP #> 32 1975-05-08 Acetonitrile 50.00 1.968483 4 EXP #> 33 1975-05-08 Acetonitrile 60.00 1.924279 4 EXP #> 34 1975-05-08 Acetonitrile 70.00 1.851258 4 EXP #> 35 1975-05-08 Acetonitrile 80.00 1.732394 4 EXP #> 36 1975-05-08 Acetonitrile 90.00 1.633468 4 EXP #> 37 1975-05-08 Acetonitrile 100.00 1.579784 4 EXP #> 38 106-42-3 p-Xylene 25.00 3.590000 4 EXP #> 39 106-42-3 p-Xylene 37.00 3.390000 4 EXP #> 40 106-42-3 p-Xylene 70.00 2.885361 4 EXP #> 41 106-42-3 p-Xylene 80.00 2.808211 4 EXP #> 42 106-42-3 p-Xylene 90.00 2.673942 4 EXP #> 43 106-42-3 p-Xylene 100.00 2.532754 4 EXP #> 44 106-42-3 p-Xylene 110.00 2.457882 4 EXP #> 45 107-06-2 1,2-Dichloroethane 25.00 2.730000 4 EXP #> 46 107-06-2 1,2-Dichloroethane 37.00 2.570000 4 EXP #> 47 107-06-2 1,2-Dichloroethane 40.00 2.525045 4 EXP #> 48 107-06-2 1,2-Dichloroethane 50.00 2.380211 4 EXP #> 49 107-06-2 1,2-Dichloroethane 60.00 2.350248 4 EXP #> 50 107-06-2 1,2-Dichloroethane 70.00 2.206826 4 EXP #> 51 107-06-2 1,2-Dichloroethane 80.00 2.096910 4 EXP #> 52 107-06-2 1,2-Dichloroethane 90.00 1.973128 4 EXP #> 53 107-06-2 1,2-Dichloroethane 100.00 1.897627 4 EXP #> 54 141-78-6 Ethyl acetate 25.00 2.630000 4 EXP #> 55 141-78-6 Ethyl acetate 37.00 2.480000 4 EXP #> 56 141-78-6 Ethyl acetate 40.00 2.401401 4 EXP #> 57 141-78-6 Ethyl acetate 50.00 2.357935 4 EXP #> 58 141-78-6 Ethyl acetate 60.00 2.305351 4 EXP #> 59 141-78-6 Ethyl acetate 70.00 2.149219 4 EXP #> 60 141-78-6 Ethyl acetate 80.00 2.049218 4 EXP #> 61 141-78-6 Ethyl acetate 90.00 1.968483 4 EXP #> 62 141-78-6 Ethyl acetate 100.00 1.875061 4 EXP #> 63 541-73-1 1,3-Dichlorobenzene 25.00 4.170000 4 EXP #> 64 541-73-1 1,3-Dichlorobenzene 37.00 3.940000 4 EXP #> 65 541-73-1 1,3-Dichlorobenzene 80.00 3.247973 4 EXP #> 66 541-73-1 1,3-Dichlorobenzene 90.00 3.111263 4 EXP #> 67 541-73-1 1,3-Dichlorobenzene 100.00 2.992554 4 EXP #> 68 541-73-1 1,3-Dichlorobenzene 110.00 2.845718 4 EXP #> 69 493-02-7 trans-decalin 25.00 4.200000 4 EXP #> 70 493-02-7 trans-decalin 37.00 3.980000 4 EXP #> 71 493-02-7 trans-decalin 80.00 3.331225 4 EXP #> 72 493-02-7 trans-decalin 90.00 3.177825 4 EXP #> 73 493-02-7 trans-decalin 100.00 3.118926 4 EXP #> 74 493-02-7 trans-decalin 110.00 2.938019 4 EXP #> 75 488-23-3 1,2,3,4-Tetramethylbenzene 25.00 4.400000 4 EXP #> 76 488-23-3 1,2,3,4-Tetramethylbenzene 37.00 4.300000 4 EXP #> 77 488-23-3 1,2,3,4-Tetramethylbenzene 80.00 3.719331 4 EXP #> 78 488-23-3 1,2,3,4-Tetramethylbenzene 90.00 3.568554 4 EXP #> 79 488-23-3 1,2,3,4-Tetramethylbenzene 100.00 3.533009 4 EXP #> 80 488-23-3 1,2,3,4-Tetramethylbenzene 110.00 3.378761 4 EXP #> Method_Bin Citation Reliability Comment #> 1 HS Hussam and Carr 1985 <NA> <NA> #> 2 HS Hussam and Carr 1985 <NA> <NA> #> 3 HS Lei et al. 2019 <NA> <NA> #> 4 HS Lei et al. 2019 <NA> <NA> #> 5 HS Lei et al. 2019 <NA> <NA> #> 6 HS Lei et al. 2019 <NA> <NA> #> 7 HS Lei et al. 2019 <NA> <NA> #> 8 HS Lei et al. 2019 <NA> <NA> #> 9 HS Lei et al. 2019 <NA> <NA> #> 10 HS Lei et al. 2019 <NA> <NA> #> 11 HS Lei et al. 2019 <NA> <NA> #> 12 HS Lei et al. 2019 <NA> <NA> #> 13 HS Lei et al. 2019 <NA> <NA> #> 14 HS Lei et al. 2019 <NA> <NA> #> 15 HS Lei et al. 2019 <NA> <NA> #> 16 HS Lei et al. 2019 <NA> <NA> #> 17 HS Lei et al. 2019 <NA> <NA> #> 18 HS Lei et al. 2019 <NA> <NA> #> 19 HS Lei et al. 2019 <NA> <NA> #> 20 HS Lei et al. 2019 <NA> <NA> #> 21 HS Lei et al. 2019 <NA> <NA> #> 22 HS Lei et al. 2019 <NA> <NA> #> 23 HS Lei et al. 2019 <NA> <NA> #> 24 HS Lei et al. 2019 <NA> <NA> #> 25 HS Lei et al. 2019 <NA> <NA> #> 26 HS Lei et al. 2019 <NA> <NA> #> 27 HS Lei et al. 2019 <NA> <NA> #> 28 HS Lei et al. 2019 <NA> <NA> #> 29 HS Lei et al. 2019 <NA> <NA> #> 30 HS Lei et al. 2019 <NA> <NA> #> 31 HS Lei et al. 2019 <NA> <NA> #> 32 HS Lei et al. 2019 <NA> <NA> #> 33 HS Lei et al. 2019 <NA> <NA> #> 34 HS Lei et al. 2019 <NA> <NA> #> 35 HS Lei et al. 2019 <NA> <NA> #> 36 HS Lei et al. 2019 <NA> <NA> #> 37 HS Lei et al. 2019 <NA> <NA> #> 38 HS Lei et al. 2019 <NA> <NA> #> 39 HS Lei et al. 2019 <NA> <NA> #> 40 HS Lei et al. 2019 <NA> <NA> #> 41 HS Lei et al. 2019 <NA> <NA> #> 42 HS Lei et al. 2019 <NA> <NA> #> 43 HS Lei et al. 2019 <NA> <NA> #> 44 HS Lei et al. 2019 <NA> <NA> #> 45 HS Lei et al. 2019 <NA> <NA> #> 46 HS Lei et al. 2019 <NA> <NA> #> 47 HS Lei et al. 2019 <NA> <NA> #> 48 HS Lei et al. 2019 <NA> <NA> #> 49 HS Lei et al. 2019 <NA> <NA> #> 50 HS Lei et al. 2019 <NA> <NA> #> 51 HS Lei et al. 2019 <NA> <NA> #> 52 HS Lei et al. 2019 <NA> <NA> #> 53 HS Lei et al. 2019 <NA> <NA> #> 54 HS Lei et al. 2019 <NA> <NA> #> 55 HS Lei et al. 2019 <NA> <NA> #> 56 HS Lei et al. 2019 <NA> <NA> #> 57 HS Lei et al. 2019 <NA> <NA> #> 58 HS Lei et al. 2019 <NA> <NA> #> 59 HS Lei et al. 2019 <NA> <NA> #> 60 HS Lei et al. 2019 <NA> <NA> #> 61 HS Lei et al. 2019 <NA> <NA> #> 62 HS Lei et al. 2019 <NA> <NA> #> 63 HS Lei et al. 2019 <NA> <NA> #> 64 HS Lei et al. 2019 <NA> <NA> #> 65 HS Lei et al. 2019 <NA> <NA> #> 66 HS Lei et al. 2019 <NA> <NA> #> 67 HS Lei et al. 2019 <NA> <NA> #> 68 HS Lei et al. 2019 <NA> <NA> #> 69 HS Lei et al. 2019 <NA> <NA> #> 70 HS Lei et al. 2019 <NA> <NA> #> 71 HS Lei et al. 2019 <NA> <NA> #> 72 HS Lei et al. 2019 <NA> <NA> #> 73 HS Lei et al. 2019 <NA> <NA> #> 74 HS Lei et al. 2019 <NA> <NA> #> 75 HS Lei et al. 2019 <NA> <NA> #> 76 HS Lei et al. 2019 <NA> <NA> #> 77 HS Lei et al. 2019 <NA> <NA> #> 78 HS Lei et al. 2019 <NA> <NA> #> 79 HS Lei et al. 2019 <NA> <NA> #> 80 HS Lei et al. 2019 <NA> <NA>query.citation("Lei et al. 2019", more.info = TRUE, ver = "upd")#> Category Cas_No Chemical_Name Chemical_Name #> 1 Ketone 67-64-1 Acetone Acetone #> 2 Ketone 67-64-1 Acetone Acetone #> 3 Ketone 67-64-1 Acetone Acetone #> 4 Ketone 67-64-1 Acetone Acetone #> 5 Ketone 67-64-1 Acetone Acetone #> 6 Ketone 67-64-1 Acetone Acetone #> 7 Ketone 67-64-1 Acetone Acetone #> 8 Ketone 67-64-1 Acetone Acetone #> 9 Alcohol 71-23-8 Propanol Propanol #> 10 Alcohol 71-23-8 Propanol Propanol #> 11 Alcohol 71-23-8 Propanol Propanol #> 12 Alcohol 71-23-8 Propanol Propanol #> 13 Alcohol 71-23-8 Propanol Propanol #> 14 Alcohol 71-23-8 Propanol Propanol #> 15 Alcohol 71-23-8 Propanol Propanol #> 16 Alcohol 71-23-8 Propanol Propanol #> 17 Alcohol 71-23-8 Propanol Propanol #> 18 Alcohol 71-36-3 Butanol Butanol #> 19 Alcohol 71-36-3 Butanol Butanol #> 20 Alcohol 71-36-3 Butanol Butanol #> 21 Alcohol 71-36-3 Butanol Butanol #> 22 Alcohol 71-36-3 Butanol Butanol #> 23 Alcohol 71-36-3 Butanol Butanol #> 24 Alcohol 71-36-3 Butanol Butanol #> 25 Alcohol 71-36-3 Butanol Butanol #> 26 Alcohol 71-36-3 Butanol Butanol #> 27 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 28 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 29 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 30 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 31 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 32 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 33 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 34 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 35 Nitrile 1975-05-08 Acetonitrile Acetonitrile #> 36 Arene 106-42-3 p-Xylene p-Xylene #> 37 Arene 106-42-3 p-Xylene p-Xylene #> 38 Arene 106-42-3 p-Xylene p-Xylene #> 39 Arene 106-42-3 p-Xylene p-Xylene #> 40 Arene 106-42-3 p-Xylene p-Xylene #> 41 Arene 106-42-3 p-Xylene p-Xylene #> 42 Arene 106-42-3 p-Xylene p-Xylene #> 43 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 44 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 45 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 46 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 47 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 48 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 49 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 50 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 51 Haloalkane 107-06-2 1,2-Dichloroethane 1,2-Dichloroethane #> 52 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 53 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 54 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 55 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 56 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 57 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 58 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 59 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 60 Acetate 141-78-6 Ethyl acetate Ethyl acetate #> 61 CB 541-73-1 1,3-Dichlorobenzene 1,3-Dichlorobenzene #> 62 CB 541-73-1 1,3-Dichlorobenzene 1,3-Dichlorobenzene #> 63 CB 541-73-1 1,3-Dichlorobenzene 1,3-Dichlorobenzene #> 64 CB 541-73-1 1,3-Dichlorobenzene 1,3-Dichlorobenzene #> 65 CB 541-73-1 1,3-Dichlorobenzene 1,3-Dichlorobenzene #> 66 CB 541-73-1 1,3-Dichlorobenzene 1,3-Dichlorobenzene #> 67 PAH 493-02-7 trans-decalin trans-decalin #> 68 PAH 493-02-7 trans-decalin trans-decalin #> 69 PAH 493-02-7 trans-decalin trans-decalin #> 70 PAH 493-02-7 trans-decalin trans-decalin #> 71 PAH 493-02-7 trans-decalin trans-decalin #> 72 PAH 493-02-7 trans-decalin trans-decalin #> 73 Arene 488-23-3 1,2,3,4-Tetramethylbenzene 1,2,3,4-Tetramethylbenzene #> 74 Arene 488-23-3 1,2,3,4-Tetramethylbenzene 1,2,3,4-Tetramethylbenzene #> 75 Arene 488-23-3 1,2,3,4-Tetramethylbenzene 1,2,3,4-Tetramethylbenzene #> 76 Arene 488-23-3 1,2,3,4-Tetramethylbenzene 1,2,3,4-Tetramethylbenzene #> 77 Arene 488-23-3 1,2,3,4-Tetramethylbenzene 1,2,3,4-Tetramethylbenzene #> 78 Arene 488-23-3 1,2,3,4-Tetramethylbenzene 1,2,3,4-Tetramethylbenzene #> IUPAC_name Alt_Chem_Name #> 1 Propan-2-one Propanone #> 2 Propan-2-one Propanone #> 3 Propan-2-one Propanone #> 4 Propan-2-one Propanone #> 5 Propan-2-one Propanone #> 6 Propan-2-one Propanone #> 7 Propan-2-one Propanone #> 8 Propan-2-one Propanone #> 9 Propan-1-ol 1-Propanol #> 10 Propan-1-ol 1-Propanol #> 11 Propan-1-ol 1-Propanol #> 12 Propan-1-ol 1-Propanol #> 13 Propan-1-ol 1-Propanol #> 14 Propan-1-ol 1-Propanol #> 15 Propan-1-ol 1-Propanol #> 16 Propan-1-ol 1-Propanol #> 17 Propan-1-ol 1-Propanol #> 18 Butan-1-ol 1-Butanol #> 19 Butan-1-ol 1-Butanol #> 20 Butan-1-ol 1-Butanol #> 21 Butan-1-ol 1-Butanol #> 22 Butan-1-ol 1-Butanol #> 23 Butan-1-ol 1-Butanol #> 24 Butan-1-ol 1-Butanol #> 25 Butan-1-ol 1-Butanol #> 26 Butan-1-ol 1-Butanol #> 27 Acetonitrile <NA> #> 28 Acetonitrile <NA> #> 29 Acetonitrile <NA> #> 30 Acetonitrile <NA> #> 31 Acetonitrile <NA> #> 32 Acetonitrile <NA> #> 33 Acetonitrile <NA> #> 34 Acetonitrile <NA> #> 35 Acetonitrile <NA> #> 36 1,4-Xylene <NA> #> 37 1,4-Xylene <NA> #> 38 1,4-Xylene <NA> #> 39 1,4-Xylene <NA> #> 40 1,4-Xylene <NA> #> 41 1,4-Xylene <NA> #> 42 1,4-Xylene <NA> #> 43 1,2-Dichloroethane <NA> #> 44 1,2-Dichloroethane <NA> #> 45 1,2-Dichloroethane <NA> #> 46 1,2-Dichloroethane <NA> #> 47 1,2-Dichloroethane <NA> #> 48 1,2-Dichloroethane <NA> #> 49 1,2-Dichloroethane <NA> #> 50 1,2-Dichloroethane <NA> #> 51 1,2-Dichloroethane <NA> #> 52 Ethyl acetate Acidic acid ethyl ester #> 53 Ethyl acetate Acidic acid ethyl ester #> 54 Ethyl acetate Acidic acid ethyl ester #> 55 Ethyl acetate Acidic acid ethyl ester #> 56 Ethyl acetate Acidic acid ethyl ester #> 57 Ethyl acetate Acidic acid ethyl ester #> 58 Ethyl acetate Acidic acid ethyl ester #> 59 Ethyl acetate Acidic acid ethyl ester #> 60 Ethyl acetate Acidic acid ethyl ester #> 61 1,3-Dichlorobenzene <NA> #> 62 1,3-Dichlorobenzene <NA> #> 63 1,3-Dichlorobenzene <NA> #> 64 1,3-Dichlorobenzene <NA> #> 65 1,3-Dichlorobenzene <NA> #> 66 1,3-Dichlorobenzene <NA> #> 67 trans-Decahydronaphthalene 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene #> 68 trans-Decahydronaphthalene 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene #> 69 trans-Decahydronaphthalene 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene #> 70 trans-Decahydronaphthalene 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene #> 71 trans-Decahydronaphthalene 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene #> 72 trans-Decahydronaphthalene 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene #> 73 1,2,3,4-Tetramethylbenzene <NA> #> 74 1,2,3,4-Tetramethylbenzene <NA> #> 75 1,2,3,4-Tetramethylbenzene <NA> #> 76 1,2,3,4-Tetramethylbenzene <NA> #> 77 1,2,3,4-Tetramethylbenzene <NA> #> 78 1,2,3,4-Tetramethylbenzene <NA> #> Acronym Alt_Acronym Molar_Mass Temp log_KOA Ranking Type Method_Type #> 1 <NA> <NA> 58.08 25 2.320000 4 EXP Static #> 2 <NA> <NA> 58.08 37 2.190000 4 EXP Static #> 3 <NA> <NA> 58.08 40 2.167317 4 EXP Static #> 4 <NA> <NA> 58.08 50 2.025306 4 EXP Static #> 5 <NA> <NA> 58.08 60 2.000000 4 EXP Static #> 6 <NA> <NA> 58.08 80 1.792392 4 EXP Static #> 7 <NA> <NA> 58.08 90 1.724276 4 EXP Static #> 8 <NA> <NA> 58.08 100 1.623249 4 EXP Static #> 9 <NA> <NA> 60.096 25 3.820000 4 EXP Static #> 10 <NA> <NA> 60.096 37 3.520000 4 EXP Static #> 11 <NA> <NA> 60.096 40 3.445915 4 EXP Static #> 12 <NA> <NA> 60.096 50 3.221675 4 EXP Static #> 13 <NA> <NA> 60.096 60 3.005609 4 EXP Static #> 14 <NA> <NA> 60.096 70 2.784617 4 EXP Static #> 15 <NA> <NA> 60.096 80 2.587711 4 EXP Static #> 16 <NA> <NA> 60.096 90 2.418301 4 EXP Static #> 17 <NA> <NA> 60.096 100 2.267172 4 EXP Static #> 18 <NA> <NA> 74.123 25 4.100000 4 EXP Static #> 19 <NA> <NA> 74.123 37 3.810000 4 EXP Static #> 20 <NA> <NA> 74.123 40 3.643946 4 EXP Static #> 21 <NA> <NA> 74.123 50 3.410946 4 EXP Static #> 22 <NA> <NA> 74.123 60 3.317227 4 EXP Static #> 23 <NA> <NA> 74.123 70 3.118595 4 EXP Static #> 24 <NA> <NA> 74.123 80 2.938019 4 EXP Static #> 25 <NA> <NA> 74.123 90 2.781755 4 EXP Static #> 26 <NA> <NA> 74.123 100 2.595496 4 EXP Static #> 27 <NA> <NA> 41.053 25 2.270000 4 EXP Static #> 28 <NA> <NA> 41.053 37 2.140000 4 EXP Static #> 29 <NA> <NA> 41.053 40 2.110590 4 EXP Static #> 30 <NA> <NA> 41.053 50 1.968483 4 EXP Static #> 31 <NA> <NA> 41.053 60 1.924279 4 EXP Static #> 32 <NA> <NA> 41.053 70 1.851258 4 EXP Static #> 33 <NA> <NA> 41.053 80 1.732394 4 EXP Static #> 34 <NA> <NA> 41.053 90 1.633468 4 EXP Static #> 35 <NA> <NA> 41.053 100 1.579784 4 EXP Static #> 36 <NA> <NA> 106.168 25 3.590000 4 EXP Static #> 37 <NA> <NA> 106.168 37 3.390000 4 EXP Static #> 38 <NA> <NA> 106.168 70 2.885361 4 EXP Static #> 39 <NA> <NA> 106.168 80 2.808211 4 EXP Static #> 40 <NA> <NA> 106.168 90 2.673942 4 EXP Static #> 41 <NA> <NA> 106.168 100 2.532754 4 EXP Static #> 42 <NA> <NA> 106.168 110 2.457882 4 EXP Static #> 43 <NA> <NA> 98.95 25 2.730000 4 EXP Static #> 44 <NA> <NA> 98.95 37 2.570000 4 EXP Static #> 45 <NA> <NA> 98.95 40 2.525045 4 EXP Static #> 46 <NA> <NA> 98.95 50 2.380211 4 EXP Static #> 47 <NA> <NA> 98.95 60 2.350248 4 EXP Static #> 48 <NA> <NA> 98.95 70 2.206826 4 EXP Static #> 49 <NA> <NA> 98.95 80 2.096910 4 EXP Static #> 50 <NA> <NA> 98.95 90 1.973128 4 EXP Static #> 51 <NA> <NA> 98.95 100 1.897627 4 EXP Static #> 52 <NA> <NA> 88.106 25 2.630000 4 EXP Static #> 53 <NA> <NA> 88.106 37 2.480000 4 EXP Static #> 54 <NA> <NA> 88.106 40 2.401401 4 EXP Static #> 55 <NA> <NA> 88.106 50 2.357935 4 EXP Static #> 56 <NA> <NA> 88.106 60 2.305351 4 EXP Static #> 57 <NA> <NA> 88.106 70 2.149219 4 EXP Static #> 58 <NA> <NA> 88.106 80 2.049218 4 EXP Static #> 59 <NA> <NA> 88.106 90 1.968483 4 EXP Static #> 60 <NA> <NA> 88.106 100 1.875061 4 EXP Static #> 61 1,3-diCB <NA> 147.01 25 4.170000 4 EXP Static #> 62 1,3-diCB <NA> 147.01 37 3.940000 4 EXP Static #> 63 1,3-diCB <NA> 147.01 80 3.247973 4 EXP Static #> 64 1,3-diCB <NA> 147.01 90 3.111263 4 EXP Static #> 65 1,3-diCB <NA> 147.01 100 2.992554 4 EXP Static #> 66 1,3-diCB <NA> 147.01 110 2.845718 4 EXP Static #> 67 <NA> <NA> 138.254 25 4.200000 4 EXP Static #> 68 <NA> <NA> 138.254 37 3.980000 4 EXP Static #> 69 <NA> <NA> 138.254 80 3.331225 4 EXP Static #> 70 <NA> <NA> 138.254 90 3.177825 4 EXP Static #> 71 <NA> <NA> 138.254 100 3.118926 4 EXP Static #> 72 <NA> <NA> 138.254 110 2.938019 4 EXP Static #> 73 <NA> <NA> 134.222 25 4.400000 4 EXP Static #> 74 <NA> <NA> 134.222 37 4.300000 4 EXP Static #> 75 <NA> <NA> 134.222 80 3.719331 4 EXP Static #> 76 <NA> <NA> 134.222 90 3.568554 4 EXP Static #> 77 <NA> <NA> 134.222 100 3.533009 4 EXP Static #> 78 <NA> <NA> 134.222 110 3.378761 4 EXP Static #> Gen_Method Method_Bin wet_dry_Octanol Value_Reported_As Citation #> 1 VPHS HS dry octanol KOA Lei et al. 2019 #> 2 VPHS HS dry octanol KOA Lei et al. 2019 #> 3 VPHS HS dry octanol KOA Lei et al. 2019 #> 4 VPHS HS dry octanol KOA Lei et al. 2019 #> 5 VPHS HS dry octanol KOA Lei et al. 2019 #> 6 VPHS HS dry octanol KOA Lei et al. 2019 #> 7 VPHS HS dry octanol KOA Lei et al. 2019 #> 8 VPHS HS dry octanol KOA Lei et al. 2019 #> 9 VPHS HS dry octanol KOA Lei et al. 2019 #> 10 VPHS HS dry octanol KOA Lei et al. 2019 #> 11 VPHS HS dry octanol KOA Lei et al. 2019 #> 12 VPHS HS dry octanol KOA Lei et al. 2019 #> 13 VPHS HS dry octanol KOA Lei et al. 2019 #> 14 VPHS HS dry octanol KOA Lei et al. 2019 #> 15 VPHS HS dry octanol KOA Lei et al. 2019 #> 16 VPHS HS dry octanol KOA Lei et al. 2019 #> 17 VPHS HS dry octanol KOA Lei et al. 2019 #> 18 VPHS HS dry octanol KOA Lei et al. 2019 #> 19 VPHS HS dry octanol KOA Lei et al. 2019 #> 20 VPHS HS dry octanol KOA Lei et al. 2019 #> 21 VPHS HS dry octanol KOA Lei et al. 2019 #> 22 VPHS HS dry octanol KOA Lei et al. 2019 #> 23 VPHS HS dry octanol KOA Lei et al. 2019 #> 24 VPHS HS dry octanol KOA Lei et al. 2019 #> 25 VPHS HS dry octanol KOA Lei et al. 2019 #> 26 VPHS HS dry octanol KOA Lei et al. 2019 #> 27 VPHS HS dry octanol KOA Lei et al. 2019 #> 28 VPHS HS dry octanol KOA Lei et al. 2019 #> 29 VPHS HS dry octanol KOA Lei et al. 2019 #> 30 VPHS HS dry octanol KOA Lei et al. 2019 #> 31 VPHS HS dry octanol KOA Lei et al. 2019 #> 32 VPHS HS dry octanol KOA Lei et al. 2019 #> 33 VPHS HS dry octanol KOA Lei et al. 2019 #> 34 VPHS HS dry octanol KOA Lei et al. 2019 #> 35 VPHS HS dry octanol KOA Lei et al. 2019 #> 36 VPHS HS dry octanol KOA Lei et al. 2019 #> 37 VPHS HS dry octanol KOA Lei et al. 2019 #> 38 VPHS HS dry octanol KOA Lei et al. 2019 #> 39 VPHS HS dry octanol KOA Lei et al. 2019 #> 40 VPHS HS dry octanol KOA Lei et al. 2019 #> 41 VPHS HS dry octanol KOA Lei et al. 2019 #> 42 VPHS HS dry octanol KOA Lei et al. 2019 #> 43 VPHS HS dry octanol KOA Lei et al. 2019 #> 44 VPHS HS dry octanol KOA Lei et al. 2019 #> 45 VPHS HS dry octanol KOA Lei et al. 2019 #> 46 VPHS HS dry octanol KOA Lei et al. 2019 #> 47 VPHS HS dry octanol KOA Lei et al. 2019 #> 48 VPHS HS dry octanol KOA Lei et al. 2019 #> 49 VPHS HS dry octanol KOA Lei et al. 2019 #> 50 VPHS HS dry octanol KOA Lei et al. 2019 #> 51 VPHS HS dry octanol KOA Lei et al. 2019 #> 52 VPHS HS dry octanol KOA Lei et al. 2019 #> 53 VPHS HS dry octanol KOA Lei et al. 2019 #> 54 VPHS HS dry octanol KOA Lei et al. 2019 #> 55 VPHS HS dry octanol KOA Lei et al. 2019 #> 56 VPHS HS dry octanol KOA Lei et al. 2019 #> 57 VPHS HS dry octanol KOA Lei et al. 2019 #> 58 VPHS HS dry octanol KOA Lei et al. 2019 #> 59 VPHS HS dry octanol KOA Lei et al. 2019 #> 60 VPHS HS dry octanol KOA Lei et al. 2019 #> 61 VPHS HS dry octanol KOA Lei et al. 2019 #> 62 VPHS HS dry octanol KOA Lei et al. 2019 #> 63 VPHS HS dry octanol KOA Lei et al. 2019 #> 64 VPHS HS dry octanol KOA Lei et al. 2019 #> 65 VPHS HS dry octanol KOA Lei et al. 2019 #> 66 VPHS HS dry octanol KOA Lei et al. 2019 #> 67 VPHS HS dry octanol KOA Lei et al. 2019 #> 68 VPHS HS dry octanol KOA Lei et al. 2019 #> 69 VPHS HS dry octanol KOA Lei et al. 2019 #> 70 VPHS HS dry octanol KOA Lei et al. 2019 #> 71 VPHS HS dry octanol KOA Lei et al. 2019 #> 72 VPHS HS dry octanol KOA Lei et al. 2019 #> 73 VPHS HS dry octanol KOA Lei et al. 2019 #> 74 VPHS HS dry octanol KOA Lei et al. 2019 #> 75 VPHS HS dry octanol KOA Lei et al. 2019 #> 76 VPHS HS dry octanol KOA Lei et al. 2019 #> 77 VPHS HS dry octanol KOA Lei et al. 2019 #> 78 VPHS HS dry octanol KOA Lei et al. 2019 #> Team Reliability Comment #> 1 Wania <NA> <NA> #> 2 Wania <NA> <NA> #> 3 Wania <NA> <NA> #> 4 Wania <NA> <NA> #> 5 Wania <NA> <NA> #> 6 Wania <NA> <NA> #> 7 Wania <NA> <NA> #> 8 Wania <NA> <NA> #> 9 Wania <NA> <NA> #> 10 Wania <NA> <NA> #> 11 Wania <NA> <NA> #> 12 Wania <NA> <NA> #> 13 Wania <NA> <NA> #> 14 Wania <NA> <NA> #> 15 Wania <NA> <NA> #> 16 Wania <NA> <NA> #> 17 Wania <NA> <NA> #> 18 Wania <NA> <NA> #> 19 Wania <NA> <NA> #> 20 Wania <NA> <NA> #> 21 Wania <NA> <NA> #> 22 Wania <NA> <NA> #> 23 Wania <NA> <NA> #> 24 Wania <NA> <NA> #> 25 Wania <NA> <NA> #> 26 Wania <NA> <NA> #> 27 Wania <NA> <NA> #> 28 Wania <NA> <NA> #> 29 Wania <NA> <NA> #> 30 Wania <NA> <NA> #> 31 Wania <NA> <NA> #> 32 Wania <NA> <NA> #> 33 Wania <NA> <NA> #> 34 Wania <NA> <NA> #> 35 Wania <NA> <NA> #> 36 Wania <NA> <NA> #> 37 Wania <NA> <NA> #> 38 Wania <NA> <NA> #> 39 Wania <NA> <NA> #> 40 Wania <NA> <NA> #> 41 Wania <NA> <NA> #> 42 Wania <NA> <NA> #> 43 Wania <NA> <NA> #> 44 Wania <NA> <NA> #> 45 Wania <NA> <NA> #> 46 Wania <NA> <NA> #> 47 Wania <NA> <NA> #> 48 Wania <NA> <NA> #> 49 Wania <NA> <NA> #> 50 Wania <NA> <NA> #> 51 Wania <NA> <NA> #> 52 Wania <NA> <NA> #> 53 Wania <NA> <NA> #> 54 Wania <NA> <NA> #> 55 Wania <NA> <NA> #> 56 Wania <NA> <NA> #> 57 Wania <NA> <NA> #> 58 Wania <NA> <NA> #> 59 Wania <NA> <NA> #> 60 Wania <NA> <NA> #> 61 Wania <NA> <NA> #> 62 Wania <NA> <NA> #> 63 Wania <NA> <NA> #> 64 Wania <NA> <NA> #> 65 Wania <NA> <NA> #> 66 Wania <NA> <NA> #> 67 Wania <NA> <NA> #> 68 Wania <NA> <NA> #> 69 Wania <NA> <NA> #> 70 Wania <NA> <NA> #> 71 Wania <NA> <NA> #> 72 Wania <NA> <NA> #> 73 Wania <NA> <NA> #> 74 Wania <NA> <NA> #> 75 Wania <NA> <NA> #> 76 Wania <NA> <NA> #> 77 Wania <NA> <NA> #> 78 Wania <NA> <NA>