query.cas.RdCreate a data frame with all estimated and experimental KOA values which match the specified CAS number(s).
query.cas(query, more.info = F, ver = "upd")
| query | CAS number, with or without dashes, either a single input or a vector. |
|---|---|
| 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 for chemicals with CAS No. matching the query.
Other Queries:
query.category(),
query.citation(),
query.group(),
query.mass(),
query.meth.type(),
query.meth(),
query.name()
query.cas("50-29-3")#> Cas_No Chemical_Name Temp log_KOA Ranking Type #> 1 50-29-3 Dichlorodiphenyltrichloroethane -10 11.834221 4 EXP #> 2 50-29-3 Dichlorodiphenyltrichloroethane 0 11.283516 4 EXP #> 3 50-29-3 Dichlorodiphenyltrichloroethane 10 10.771731 4 EXP #> 4 50-29-3 Dichlorodiphenyltrichloroethane 10 10.970000 3 EST #> 5 50-29-3 Dichlorodiphenyltrichloroethane 15 10.306539 4 EXP #> 6 50-29-3 Dichlorodiphenyltrichloroethane 15 10.749532 3 EST #> 7 50-29-3 Dichlorodiphenyltrichloroethane 20 10.294881 4 EXP #> 8 50-29-3 Dichlorodiphenyltrichloroethane 25 7.900000 3 EST #> 9 50-29-3 Dichlorodiphenyltrichloroethane 25 9.337337 2 EST #> 10 50-29-3 Dichlorodiphenyltrichloroethane 25 9.706624 3 EST #> 11 50-29-3 Dichlorodiphenyltrichloroethane 25 9.816309 4 EXP #> 12 50-29-3 Dichlorodiphenyltrichloroethane 25 9.878767 4 EXP #> 13 50-29-3 Dichlorodiphenyltrichloroethane 25 9.930000 1 EST #> 14 50-29-3 Dichlorodiphenyltrichloroethane 25 10.090000 4 EXP #> 15 50-29-3 Dichlorodiphenyltrichloroethane 25 10.110000 3 EST #> 16 50-29-3 Dichlorodiphenyltrichloroethane 25 10.380000 3 EST #> 17 50-29-3 Dichlorodiphenyltrichloroethane 25 10.388991 3 EST #> 18 50-29-3 Dichlorodiphenyltrichloroethane 35 9.295065 4 EXP #> 19 50-29-3 Dichlorodiphenyltrichloroethane 35 10.051850 3 EST #> 20 50-29-3 Dichlorodiphenyltrichloroethane 45 8.824000 4 EXP #> 21 50-29-3 Dichlorodiphenyltrichloroethane 45 9.735903 3 EST #> Method_Bin Citation #> 1 FM Harner and Mackay 1995 #> 2 FM Harner and Mackay 1995 #> 3 FM Harner and Mackay 1995 #> 4 QSPR Meylan and Howard 2005 #> 5 FM Shoeib and Harner 2002b #> 6 QSPR Mathieu 2020 #> 7 FM Harner and Mackay 1995 #> 8 Solvation Fu et al. 2016 #> 9 QSPR Nabi et al. 2014 #> 10 QSPR Nabi et al. 2014 #> 11 FM Shoeib and Harner 2002b #> 12 FM Shoeib and Harner 2002b #> 13 QSPR Finizio et al. 1997 #> 14 FM Harner and Mackay 1995 #> 15 QSPR Chen et al. 2003c #> 16 QSPR Meylan and Howard 2005 #> 17 QSPR Mathieu 2020 #> 18 FM Shoeib and Harner 2002b #> 19 QSPR Mathieu 2020 #> 20 FM Shoeib and Harner 2002b #> 21 QSPR Mathieu 2020 #> Reliability #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 <NA> #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Reported in paper as recommended value #> 12 This value does not match the paper because the reported value is calculated from regression analysis reported/recommended by authors. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 <NA> #> 19 <NA> #> 20 <NA> #> 21 <NA> #> Comment #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 Raw data and errors from communication with T. Harner. #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Calculated from regression equation and originally reported in paper. #> 12 Raw data and errors from communication with T. Harner. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 Raw data and errors from communication with T. Harner. #> 19 <NA> #> 20 Raw data from communication with T. Harner. #> 21 <NA>query.cas("50293")#> Cas_No Chemical_Name Temp log_KOA Ranking Type #> 1 50-29-3 Dichlorodiphenyltrichloroethane -10 11.834221 4 EXP #> 2 50-29-3 Dichlorodiphenyltrichloroethane 0 11.283516 4 EXP #> 3 50-29-3 Dichlorodiphenyltrichloroethane 10 10.771731 4 EXP #> 4 50-29-3 Dichlorodiphenyltrichloroethane 10 10.970000 3 EST #> 5 50-29-3 Dichlorodiphenyltrichloroethane 15 10.306539 4 EXP #> 6 50-29-3 Dichlorodiphenyltrichloroethane 15 10.749532 3 EST #> 7 50-29-3 Dichlorodiphenyltrichloroethane 20 10.294881 4 EXP #> 8 50-29-3 Dichlorodiphenyltrichloroethane 25 7.900000 3 EST #> 9 50-29-3 Dichlorodiphenyltrichloroethane 25 9.337337 2 EST #> 10 50-29-3 Dichlorodiphenyltrichloroethane 25 9.706624 3 EST #> 11 50-29-3 Dichlorodiphenyltrichloroethane 25 9.816309 4 EXP #> 12 50-29-3 Dichlorodiphenyltrichloroethane 25 9.878767 4 EXP #> 13 50-29-3 Dichlorodiphenyltrichloroethane 25 9.930000 1 EST #> 14 50-29-3 Dichlorodiphenyltrichloroethane 25 10.090000 4 EXP #> 15 50-29-3 Dichlorodiphenyltrichloroethane 25 10.110000 3 EST #> 16 50-29-3 Dichlorodiphenyltrichloroethane 25 10.380000 3 EST #> 17 50-29-3 Dichlorodiphenyltrichloroethane 25 10.388991 3 EST #> 18 50-29-3 Dichlorodiphenyltrichloroethane 35 9.295065 4 EXP #> 19 50-29-3 Dichlorodiphenyltrichloroethane 35 10.051850 3 EST #> 20 50-29-3 Dichlorodiphenyltrichloroethane 45 8.824000 4 EXP #> 21 50-29-3 Dichlorodiphenyltrichloroethane 45 9.735903 3 EST #> Method_Bin Citation #> 1 FM Harner and Mackay 1995 #> 2 FM Harner and Mackay 1995 #> 3 FM Harner and Mackay 1995 #> 4 QSPR Meylan and Howard 2005 #> 5 FM Shoeib and Harner 2002b #> 6 QSPR Mathieu 2020 #> 7 FM Harner and Mackay 1995 #> 8 Solvation Fu et al. 2016 #> 9 QSPR Nabi et al. 2014 #> 10 QSPR Nabi et al. 2014 #> 11 FM Shoeib and Harner 2002b #> 12 FM Shoeib and Harner 2002b #> 13 QSPR Finizio et al. 1997 #> 14 FM Harner and Mackay 1995 #> 15 QSPR Chen et al. 2003c #> 16 QSPR Meylan and Howard 2005 #> 17 QSPR Mathieu 2020 #> 18 FM Shoeib and Harner 2002b #> 19 QSPR Mathieu 2020 #> 20 FM Shoeib and Harner 2002b #> 21 QSPR Mathieu 2020 #> Reliability #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 <NA> #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Reported in paper as recommended value #> 12 This value does not match the paper because the reported value is calculated from regression analysis reported/recommended by authors. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 <NA> #> 19 <NA> #> 20 <NA> #> 21 <NA> #> Comment #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 Raw data and errors from communication with T. Harner. #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Calculated from regression equation and originally reported in paper. #> 12 Raw data and errors from communication with T. Harner. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 Raw data and errors from communication with T. Harner. #> 19 <NA> #> 20 Raw data from communication with T. Harner. #> 21 <NA>query.cas("50293", more.info = TRUE)#> Category Cas_No Chemical_Name #> 1 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 2 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 3 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 4 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 5 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 6 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 7 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 8 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 9 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 10 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 11 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 12 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 13 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 14 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 15 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 16 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 17 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 18 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 19 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 20 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> 21 DDT 50-29-3 Dichlorodiphenyltrichloroethane #> Chemical_Name #> 1 Dichlorodiphenyltrichloroethane #> 2 Dichlorodiphenyltrichloroethane #> 3 Dichlorodiphenyltrichloroethane #> 4 Dichlorodiphenyltrichloroethane #> 5 Dichlorodiphenyltrichloroethane #> 6 Dichlorodiphenyltrichloroethane #> 7 Dichlorodiphenyltrichloroethane #> 8 Dichlorodiphenyltrichloroethane #> 9 Dichlorodiphenyltrichloroethane #> 10 Dichlorodiphenyltrichloroethane #> 11 Dichlorodiphenyltrichloroethane #> 12 Dichlorodiphenyltrichloroethane #> 13 Dichlorodiphenyltrichloroethane #> 14 Dichlorodiphenyltrichloroethane #> 15 Dichlorodiphenyltrichloroethane #> 16 Dichlorodiphenyltrichloroethane #> 17 Dichlorodiphenyltrichloroethane #> 18 Dichlorodiphenyltrichloroethane #> 19 Dichlorodiphenyltrichloroethane #> 20 Dichlorodiphenyltrichloroethane #> 21 Dichlorodiphenyltrichloroethane #> IUPAC_name #> 1 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 2 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 3 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 4 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 5 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 6 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 7 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 8 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 9 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 10 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 11 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 12 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 13 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 14 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 15 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 16 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 17 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 18 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 19 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 20 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> 21 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene) #> Alt_Chem_Name Acronym Alt_Acronym #> 1 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 2 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 3 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 4 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 5 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 6 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 7 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 8 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 9 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 10 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 11 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 12 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 13 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 14 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 15 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 16 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 17 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 18 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 19 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 20 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> 21 1,1'-(2,2,2-trichloroethylidene)bis 4-chlorobenzene p,p'-DDT DDT #> Molar_Mass Temp log_KOA Ranking Type Method_Type Gen_Method #> 1 354.48 -10 11.834221 4 EXP Dynamic FM #> 2 354.48 0 11.283516 4 EXP Dynamic FM #> 3 354.48 10 10.771731 4 EXP Dynamic FM #> 4 354.48 10 10.970000 3 EST EST Triangle #> 5 354.48 15 10.306539 4 EXP Dynamic FM #> 6 354.48 15 10.749532 3 EST EST additive #> 7 354.48 20 10.294881 4 EXP Dynamic FM #> 8 354.48 25 7.900000 3 EST EST SM8AD/CM4/M05-2X/6-31 #> 9 354.48 25 9.337337 2 EST EST ppLFER #> 10 354.48 25 9.706624 3 EST EST LFER #> 11 354.48 25 9.816309 4 EXP Dynamic FM #> 12 354.48 25 9.878767 4 EXP Dynamic FM #> 13 354.48 25 9.930000 1 EST EST Triangle #> 14 354.48 25 10.090000 4 EXP Dynamic FM #> 15 354.48 25 10.110000 3 EST EST PLS #> 16 354.48 25 10.380000 3 EST EST Triangle #> 17 354.48 25 10.388991 3 EST EST additive #> 18 354.48 35 9.295065 4 EXP Dynamic FM #> 19 354.48 35 10.051850 3 EST EST additive #> 20 354.48 45 8.824000 4 EXP Dynamic FM #> 21 354.48 45 9.735903 3 EST EST additive #> Method_Bin wet_dry_Octanol Value_Reported_As Citation Team #> 1 FM dry octanol log KOA Harner and Mackay 1995 Harner #> 2 FM dry octanol log KOA Harner and Mackay 1995 Harner #> 3 FM dry octanol log KOA Harner and Mackay 1995 Harner #> 4 QSPR wet octanol log KOA Meylan and Howard 2005 Meylan #> 5 FM dry octanol log KOA Shoeib and Harner 2002b Harner #> 6 QSPR dry octanol log KOA Mathieu 2020 Mathieu #> 7 FM dry octanol log KOA Harner and Mackay 1995 Harner #> 8 Solvation dry octanol log KOA Fu et al. 2016 Chen #> 9 QSPR dry octanol log KOA Nabi et al. 2014 Nabi #> 10 QSPR dry octanol log KOA Nabi et al. 2014 Nabi #> 11 FM dry octanol log KOA Shoeib and Harner 2002b Harner #> 12 FM dry octanol log KOA Shoeib and Harner 2002b Harner #> 13 QSPR wet octanol log KOA Finizio et al. 1997 Harner #> 14 FM dry octanol log KOA Harner and Mackay 1995 Harner #> 15 QSPR dry octanol log KOA Chen et al. 2003c Chen #> 16 QSPR wet octanol log KOA Meylan and Howard 2005 Meylan #> 17 QSPR dry octanol log KOA Mathieu 2020 Mathieu #> 18 FM dry octanol log KOA Shoeib and Harner 2002b Harner #> 19 QSPR dry octanol log KOA Mathieu 2020 Mathieu #> 20 FM dry octanol log KOA Shoeib and Harner 2002b Harner #> 21 QSPR dry octanol log KOA Mathieu 2020 Mathieu #> Reliability #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 <NA> #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Reported in paper as recommended value #> 12 This value does not match the paper because the reported value is calculated from regression analysis reported/recommended by authors. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 <NA> #> 19 <NA> #> 20 <NA> #> 21 <NA> #> Comment #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 Raw data and errors from communication with T. Harner. #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Calculated from regression equation and originally reported in paper. #> 12 Raw data and errors from communication with T. Harner. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 Raw data and errors from communication with T. Harner. #> 19 <NA> #> 20 Raw data from communication with T. Harner. #> 21 <NA>#> Cas_No Chemical_Name Temp log_KOA Ranking Type #> 1 50-29-3 Dichlorodiphenyltrichloroethane -10 11.834221 4 EXP #> 2 50-29-3 Dichlorodiphenyltrichloroethane 0 11.283516 4 EXP #> 3 50-29-3 Dichlorodiphenyltrichloroethane 10 10.771731 4 EXP #> 4 50-29-3 Dichlorodiphenyltrichloroethane 10 10.970000 3 EST #> 5 50-29-3 Dichlorodiphenyltrichloroethane 15 10.306539 4 EXP #> 6 50-29-3 Dichlorodiphenyltrichloroethane 15 10.749532 3 EST #> 7 50-29-3 Dichlorodiphenyltrichloroethane 20 10.294881 4 EXP #> 8 50-29-3 Dichlorodiphenyltrichloroethane 25 7.900000 3 EST #> 9 50-29-3 Dichlorodiphenyltrichloroethane 25 9.337337 2 EST #> 10 50-29-3 Dichlorodiphenyltrichloroethane 25 9.706624 3 EST #> 11 50-29-3 Dichlorodiphenyltrichloroethane 25 9.816309 4 EXP #> 12 50-29-3 Dichlorodiphenyltrichloroethane 25 9.878767 4 EXP #> 13 50-29-3 Dichlorodiphenyltrichloroethane 25 9.930000 1 EST #> 14 50-29-3 Dichlorodiphenyltrichloroethane 25 10.090000 4 EXP #> 15 50-29-3 Dichlorodiphenyltrichloroethane 25 10.110000 3 EST #> 16 50-29-3 Dichlorodiphenyltrichloroethane 25 10.380000 3 EST #> 17 50-29-3 Dichlorodiphenyltrichloroethane 25 10.388991 3 EST #> 18 50-29-3 Dichlorodiphenyltrichloroethane 35 9.295065 4 EXP #> 19 50-29-3 Dichlorodiphenyltrichloroethane 35 10.051850 3 EST #> 20 50-29-3 Dichlorodiphenyltrichloroethane 45 8.824000 4 EXP #> 21 50-29-3 Dichlorodiphenyltrichloroethane 45 9.735903 3 EST #> 22 118-74-1 Hexachlorobenzene -10 8.635361 4 EXP #> 23 118-74-1 Hexachlorobenzene 0 8.088278 4 EXP #> 24 118-74-1 Hexachlorobenzene 5 7.912302 3 EST #> 25 118-74-1 Hexachlorobenzene 5 8.104375 4 EXP #> 26 118-74-1 Hexachlorobenzene 10 7.579859 4 EXP #> 27 118-74-1 Hexachlorobenzene 10 7.772583 3 EST #> 28 118-74-1 Hexachlorobenzene 10 7.810000 3 EST #> 29 118-74-1 Hexachlorobenzene 10 7.850000 3 EST #> 30 118-74-1 Hexachlorobenzene 10 7.887005 4 EXP #> 31 118-74-1 Hexachlorobenzene 10 7.998000 3 EST #> 32 118-74-1 Hexachlorobenzene 15 7.637712 3 EST #> 33 118-74-1 Hexachlorobenzene 15 7.699948 4 EXP #> 34 118-74-1 Hexachlorobenzene 20 7.106143 4 EXP #> 35 118-74-1 Hexachlorobenzene 20 7.330000 3 EST #> 36 118-74-1 Hexachlorobenzene 20 7.507443 3 EST #> 37 118-74-1 Hexachlorobenzene 20 7.563416 4 EXP #> 38 118-74-1 Hexachlorobenzene 20 7.638000 3 EST #> 39 118-74-1 Hexachlorobenzene 25 4.930000 3 EST #> 40 118-74-1 Hexachlorobenzene 25 5.760000 3 EST #> 41 118-74-1 Hexachlorobenzene 25 6.890000 3 EST #> 42 118-74-1 Hexachlorobenzene 25 6.900000 4 EXP #> 43 118-74-1 Hexachlorobenzene 25 6.910000 3 EST #> 44 118-74-1 Hexachlorobenzene 25 6.910000 1 EST #> 45 118-74-1 Hexachlorobenzene 25 7.132230 3 EST #> 46 118-74-1 Hexachlorobenzene 25 7.170000 2 EST #> 47 118-74-1 Hexachlorobenzene 25 7.324670 2 EST #> 48 118-74-1 Hexachlorobenzene 25 7.381542 3 EST #> 49 118-74-1 Hexachlorobenzene 25 7.383523 4 EXP #> 50 118-74-1 Hexachlorobenzene 25 7.387799 4 EXP #> 51 118-74-1 Hexachlorobenzene 25 7.440000 3 EST #> 52 118-74-1 Hexachlorobenzene 25 7.880000 3 EST #> 53 118-74-1 Hexachlorobenzene 25 8.540000 1 EST #> Method_Bin Citation #> 1 FM Harner and Mackay 1995 #> 2 FM Harner and Mackay 1995 #> 3 FM Harner and Mackay 1995 #> 4 QSPR Meylan and Howard 2005 #> 5 FM Shoeib and Harner 2002b #> 6 QSPR Mathieu 2020 #> 7 FM Harner and Mackay 1995 #> 8 Solvation Fu et al. 2016 #> 9 QSPR Nabi et al. 2014 #> 10 QSPR Nabi et al. 2014 #> 11 FM Shoeib and Harner 2002b #> 12 FM Shoeib and Harner 2002b #> 13 QSPR Finizio et al. 1997 #> 14 FM Harner and Mackay 1995 #> 15 QSPR Chen et al. 2003c #> 16 QSPR Meylan and Howard 2005 #> 17 QSPR Mathieu 2020 #> 18 FM Shoeib and Harner 2002b #> 19 QSPR Mathieu 2020 #> 20 FM Shoeib and Harner 2002b #> 21 QSPR Mathieu 2020 #> 22 FM Harner and Mackay 1995 #> 23 FM Harner and Mackay 1995 #> 24 QSPR Mathieu 2020 #> 25 FM Shoeib and Harner 2002b #> 26 FM Harner and Mackay 1995 #> 27 QSPR Mathieu 2020 #> 28 QSPR Jin et al. 2017 #> 29 QSPR Meylan and Howard 2005 #> 30 FM Shoeib and Harner 2002b #> 31 QSPR Li et al. 2006a #> 32 QSPR Mathieu 2020 #> 33 FM Shoeib and Harner 2002b #> 34 FM Harner and Mackay 1995 #> 35 QSPR Jin et al. 2017 #> 36 QSPR Mathieu 2020 #> 37 FM Shoeib and Harner 2002b #> 38 QSPR Li et al. 2006a #> 39 Solvation Fu et al. 2016 #> 40 QSPR Yalkowsky et al. 1994 #> 41 QSPR Meylan and Howard 2005 #> 42 FM Harner and Mackay 1995 #> 43 QSPR Chen et al. 2003c #> 44 QSPR Zhao et al. 2005 #> 45 QSPR Nabi et al. 2014 #> 46 QSPR Abraham et al. 2001 #> 47 QSPR Nabi et al. 2014 #> 48 QSPR Mathieu 2020 #> 49 FM Shoeib and Harner 2002b #> 50 FM Shoeib and Harner 2002b #> 51 QSPR Li et al. 2006a #> 52 QSPR Sepassi and Yalkowsky 2007 #> 53 QSPR Finizio et al. 1997 #> Reliability #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 <NA> #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Reported in paper as recommended value #> 12 This value does not match the paper because the reported value is calculated from regression analysis reported/recommended by authors. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 <NA> #> 19 <NA> #> 20 <NA> #> 21 <NA> #> 22 <NA> #> 23 <NA> #> 24 <NA> #> 25 <NA> #> 26 <NA> #> 27 <NA> #> 28 <NA> #> 29 <NA> #> 30 <NA> #> 31 <NA> #> 32 <NA> #> 33 <NA> #> 34 <NA> #> 35 <NA> #> 36 <NA> #> 37 <NA> #> 38 <NA> #> 39 <NA> #> 40 <NA> #> 41 <NA> #> 42 <NA> #> 43 <NA> #> 44 <NA> #> 45 <NA> #> 46 <NA> #> 47 <NA> #> 48 <NA> #> 49 Reported in paper as recommended value #> 50 This value does not match the paper because the reported value is calculated from regression analysis reported/recommended by authors. #> 51 <NA> #> 52 <NA> #> 53 <NA> #> Comment #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 Raw data and errors from communication with T. Harner. #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Calculated from regression equation and originally reported in paper. #> 12 Raw data and errors from communication with T. Harner. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 Raw data and errors from communication with T. Harner. #> 19 <NA> #> 20 Raw data from communication with T. Harner. #> 21 <NA> #> 22 <NA> #> 23 <NA> #> 24 <NA> #> 25 Raw data and errors from communication with T. Harner. #> 26 <NA> #> 27 <NA> #> 28 <NA> #> 29 <NA> #> 30 Raw data and errors from communication with T. Harner. #> 31 <NA> #> 32 <NA> #> 33 Raw data and errors from communication with T. Harner. #> 34 <NA> #> 35 <NA> #> 36 <NA> #> 37 Raw data and errors from communication with T. Harner. #> 38 <NA> #> 39 <NA> #> 40 <NA> #> 41 <NA> #> 42 <NA> #> 43 <NA> #> 44 <NA> #> 45 <NA> #> 46 <NA> #> 47 <NA> #> 48 <NA> #> 49 Calculated from regression equation and originally reported in paper. #> 50 Raw data and errors from communication with T. Harner. #> 51 <NA> #> 52 <NA> #> 53 <NA>query.cas("50293", ver = "upd")#> Cas_No Chemical_Name Temp log_KOA Ranking Type #> 1 50-29-3 Dichlorodiphenyltrichloroethane -10 11.834221 4 EXP #> 2 50-29-3 Dichlorodiphenyltrichloroethane 0 11.283516 4 EXP #> 3 50-29-3 Dichlorodiphenyltrichloroethane 10 10.771731 4 EXP #> 4 50-29-3 Dichlorodiphenyltrichloroethane 10 10.970000 3 EST #> 5 50-29-3 Dichlorodiphenyltrichloroethane 15 10.306539 4 EXP #> 6 50-29-3 Dichlorodiphenyltrichloroethane 15 10.749532 3 EST #> 7 50-29-3 Dichlorodiphenyltrichloroethane 20 10.294881 4 EXP #> 8 50-29-3 Dichlorodiphenyltrichloroethane 25 7.900000 3 EST #> 9 50-29-3 Dichlorodiphenyltrichloroethane 25 9.337337 2 EST #> 10 50-29-3 Dichlorodiphenyltrichloroethane 25 9.706624 3 EST #> 11 50-29-3 Dichlorodiphenyltrichloroethane 25 9.816309 4 EXP #> 12 50-29-3 Dichlorodiphenyltrichloroethane 25 9.878767 4 EXP #> 13 50-29-3 Dichlorodiphenyltrichloroethane 25 9.930000 1 EST #> 14 50-29-3 Dichlorodiphenyltrichloroethane 25 10.090000 4 EXP #> 15 50-29-3 Dichlorodiphenyltrichloroethane 25 10.110000 3 EST #> 16 50-29-3 Dichlorodiphenyltrichloroethane 25 10.380000 3 EST #> 17 50-29-3 Dichlorodiphenyltrichloroethane 25 10.388991 3 EST #> 18 50-29-3 Dichlorodiphenyltrichloroethane 35 9.295065 4 EXP #> 19 50-29-3 Dichlorodiphenyltrichloroethane 35 10.051850 3 EST #> 20 50-29-3 Dichlorodiphenyltrichloroethane 45 8.824000 4 EXP #> 21 50-29-3 Dichlorodiphenyltrichloroethane 45 9.735903 3 EST #> Method_Bin Citation #> 1 FM Harner and Mackay 1995 #> 2 FM Harner and Mackay 1995 #> 3 FM Harner and Mackay 1995 #> 4 QSPR Meylan and Howard 2005 #> 5 FM Shoeib and Harner 2002b #> 6 QSPR Mathieu 2020 #> 7 FM Harner and Mackay 1995 #> 8 Solvation Fu et al. 2016 #> 9 QSPR Nabi et al. 2014 #> 10 QSPR Nabi et al. 2014 #> 11 FM Shoeib and Harner 2002b #> 12 FM Shoeib and Harner 2002b #> 13 QSPR Finizio et al. 1997 #> 14 FM Harner and Mackay 1995 #> 15 QSPR Chen et al. 2003c #> 16 QSPR Meylan and Howard 2005 #> 17 QSPR Mathieu 2020 #> 18 FM Shoeib and Harner 2002b #> 19 QSPR Mathieu 2020 #> 20 FM Shoeib and Harner 2002b #> 21 QSPR Mathieu 2020 #> Reliability #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 <NA> #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Reported in paper as recommended value #> 12 This value does not match the paper because the reported value is calculated from regression analysis reported/recommended by authors. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 <NA> #> 19 <NA> #> 20 <NA> #> 21 <NA> #> Comment #> 1 <NA> #> 2 <NA> #> 3 <NA> #> 4 <NA> #> 5 Raw data and errors from communication with T. Harner. #> 6 <NA> #> 7 <NA> #> 8 <NA> #> 9 <NA> #> 10 <NA> #> 11 Calculated from regression equation and originally reported in paper. #> 12 Raw data and errors from communication with T. Harner. #> 13 <NA> #> 14 <NA> #> 15 <NA> #> 16 <NA> #> 17 <NA> #> 18 Raw data and errors from communication with T. Harner. #> 19 <NA> #> 20 Raw data from communication with T. Harner. #> 21 <NA>