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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption, other
Remarks:
calculation of log Koc for ionized molecule
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Scientifically acceptable calculation method
GLP compliance:
no
Type:
Koc
Value:
1 876
Remarks on result:
other: pH 5.0
Type:
log Koc
Value:
3.27
Remarks on result:
other: pH 5.0
Type:
Koc
Value:
784
Remarks on result:
other: pH 7.0
Type:
log Koc
Value:
2.89
Remarks on result:
other: pH 7.0
Conclusions:
The Koc of the substance was calculated following Franco & Trapp (2008) to be 1876 and 784 (logKoc = 3.27 and 2.89) at pH 5 and 7, respectively.

Description of key information

The Koc of the substance was calculated following Franco & Trapp (2008) to be 1876 and 784 (logKoc = 3.27 and 2.89) at pH 5 and 7, respectively.

Key value for chemical safety assessment

Koc at 20 °C:
784

Additional information

Since the test substance's physicochemical properties indicate a low potential for adsorption, no study needed to be conducted according to REACH Annex VIII 9.3.1 column 2. Nevertheless, estimates of the Koc were made according to Franco & Trapp (2008) showing Koc values of 1876 and 784 (logKoc = 3.27 and 2.89) at pH 5 and 7, respectively. A pKa of 6.8 and a log Pow of 0.5 (uncharged molecule) were used as input-parameter.

As pH 7 is considered most representative as environmental pH, the related Koc is used as the key value for the chemical safety assessment.

[LogKoc: 2.89]