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Adsorption / desorption

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Endpoint:
adsorption / desorption: screening
Data waiving:
study technically not feasible
Justification for data waiving:
other:
Reason / purpose:
data waiving: supporting information
Endpoint:
adsorption / desorption
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
N/A
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The Koc of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics)
Principles of method if other than guideline:
The organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc, of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics). The Koc is estimated using the traditional method based on logKow.
GLP compliance:
no
Type of method:
other: Calculated
Type:
Koc
Value:
33
Remarks on result:
other: Substance: NBDA; for each of the 2 constituents; based on logKow
Type:
log Koc
Value:
1.52
Remarks on result:
other: Substance: NBDA; for each of the 2 constituents; based on logKow

Determined in the software program EUSES version 2.1, by using the default QSAR model (for non-hydrophobics).

Validity criteria fulfilled:
not applicable
Conclusions:
The Koc of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics). The calculated Koc and logKoc values are 33 and 1.52, respectively.
Endpoint:
adsorption / desorption
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
N/A
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The Koc of the substance has been calculated with the KOCWIN Program (version 2.00), part of EPI Suite. This model is considered reliable by OECD.
Principles of method if other than guideline:
The organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc, has been calculated with the KOCWIN Program (version 2.00), part of EPI Suite. The Koc is estimated using the traditional method based on logKow.
GLP compliance:
no
Type of method:
other: Calculated
Type:
Koc
Value:
2 024
Remarks on result:
other: For each of the 2 constituents; calculated with the KOCWIN Program (version 2.00), based on logKow
Type:
log Koc
Value:
3.3
Remarks on result:
other: For each of the 2 constituents; calculated with the KOCWIN Program (version 2.00), based on logKow

KOCWIN v2.00 Results:

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : 3.81

Non-Corrected Log Koc (0.8679 logKow - 0.0004) ... : 3.3063

Fragment Correction(s) --> NONE                      :  ---

Corrected Log Koc ................................. : 3.3063

 

Estimated Koc: 2024 L/kg 

Validity criteria fulfilled:
not applicable
Conclusions:
As the substance reacts with water, it was technically not feasible to obtain experimental data for Koc (either by OECD 106 or OECD 121). Therefore the Koc of the substance has been calculated with the KOCWIN Program (version 2.00). The calculated Koc and logKoc values are 2024 and 3.3, respectively.

Description of key information

NBDI: as the substance reacts with water, it was technically not feasible to obtain experimental data for Koc (either by OECD 106 or OECD 121). Therefore the Koc of the substance has been calculated with the KOCWIN Program (version 2.00). The calculated Koc and logKoc values are 2024 and 3.3, respectively.
NBDA: The Koc of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics). The calculated Koc and logKoc values are 33 and 1.52, respectively.

Key value for chemical safety assessment

Koc at 20 °C:
33

Additional information

The key value for CSA is the Koc of NBDA (33 L/kg).