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EC number: 240-008-3 | CAS number: 15876-47-8
KOCWIN Program (v2.00) Results:
SMILES : S(c1c2c(c(N=Nc3c4c(cccc4)c(S(=O)(=O)O([Al]))cc3)c(cc2)O)cc(S(=O)(=O)O
Koc may be sensitive to pH!
MOL WT : 566.51
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
First Order Molecular Connectivity Index ........... : 16.736
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 9.3245
1 Azo (-N=N-) ......................... : -0.6475
1 Sulfonic acid (-S(=O)-OH) ............. : -2.0000
1 Miscellaneous S(=O) group .......... : -1.2980
1 Aromatic Hydroxy (aromatic-OH) ....... : -0.0966
Corrected Log Koc .................................. : 5.2823
Estimated Koc: 1.916e+005 L/kg <===========
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical aluminium(3 +) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 -disulfonate (CAS No. 15876 -47 -8). The soil adsorption coefficient i.e Koc value of aluminium(3+) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 -disulfonate was estimated to be 191600 L/kg (log Koc=5.2823) by means of MCI method (at 25 deg C). This Koc value indicates that the substance aluminium(3+) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 - disulfonate has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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