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EC number: 246-805-2 | CAS number: 25306-75-6
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The adsorption coefficient (Koc) was estimated using the KOCWIN v2.00 QSAR model available from the US EPA. The estimated adsorption coefficient was 11.7 L/kg (log Koc 1.06).
The log of the adsorption coefficient (KOC) of Sodium isobutyl xanthate was estimated to be log KOC = 1.06 which is equal to a KOC value of 11.7 using the KOCWIN v2.00 QSAR method. This value indicates that Sodium isobutyl xanthate will be adsorbed by organic carbon in soil. Sodium isobutyl xanthate can be classified to be of very high mobility in soil according these results and does not have a high potential for adsorption to soil
Sodium isobutyl xanthate and xanthates in general adsorbs strongly to sulphide minerals but has less affinity for surfaces in general. The KOC value of 11.7 also suggest this conclusion.
Key value for chemical safety assessment
- Koc at 20 °C:
- 11.7
Additional information
The log of the adsorption coefficient (KOC) of Sodium isobutyl xanthate was estimated to be log KOC = 1.06 which is equal to a KOC value of 11.7 using the KOCWIN v2.00 QSAR method. This value indicates that Sodium isobutyl xanthate will be adsorbed by organic carbon in soil. Sodium isobutyl xanthate can be classified to be of very high mobility in soil according these results and does not have a high potential for adsorption to soil
Sodium isobutyl xanthate and xanthates in general adsorbs strongly to sulphide minerals but has less affinity for surfaces in general. The KOC value of 11.7 also suggest this conclusion.
The estimated Soil Adsorption Coefficient was 11.7 L/kg measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency
SMILES : O(C(CC)C)C(S([Na]))=S
CHEM :
MOL FOR: C5 H9 O1 S2 Na1
MOL WT : 172.24
--------------------------- KOCWIN v2.00 Results ---------------------------
NOTE: METAL (Na, Li or K) HAS BEEN REMOVED TO ALLOW ESTIMATION via MCI!
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 3.664
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.5098
Fragment Correction(s):
1 Thiocarbonyl (C=S) .................. : -0.5701
1 Ether, aliphatic (-C-O-C-) .......... : -0.8716
Corrected Log Koc .................................. : 1.0681
Estimated Koc: 11.7 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : -1.33
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.1894
Fragment Correction(s):
1 Thiocarbonyl (C=S) .................. : 0.3004
1 Ether, aliphatic (-C-O-C-) .......... : -0.0906
Corrected Log Koc .................................. : 0.3993
Estimated Koc: 2.508 L/kg <===========
[LogKoc: 1.06]
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