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Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-06 to 2017-11-06
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Use of valid QSAR
Justification for type of information:
QSAR prediction. See QMRF and QPRF in "attached background material" section.
Qualifier:
according to
Guideline:
other: Reach guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
Koc was calculated from Log Kow
GLP compliance:
no
Remarks:
Calculated results
Type of method:
other: QSAR
Media:
soil
Specific details on test material used for the study:
SMILES : O=C(C(C(C1C2)(C)C)(C2)C)C1
Radiolabelling:
no
Computational methods:
Koc has been calculated with a Log Kow of 2.38 as input
Type:
Koc
Value:
273.6 L/kg
Transformation products:
no

None

Validity criteria fulfilled:
yes
Conclusions:
The Koc of camphor predicted from log Kow of 2.38 using KOCWIN v2.00 from EPISUITE 4.1 software is 273.6 L/kg.
Executive summary:

Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.

The Koc of camphor predicted from a log Kow of 2.38 is 273.6 L/kg.

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-06 to 2017-11-06
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Use of valid QSAR
Justification for type of information:
QSAR prediction. See QMRF and QPRf in the "attached backgound material" section.
Qualifier:
according to
Guideline:
other: Reach guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
Calculations by Molecular Connectivity Index (MCI)
GLP compliance:
no
Remarks:
Calculated results
Type of method:
other: QSAR
Media:
soil
Specific details on test material used for the study:
SMILES : O=C(C(C(C1C2)(C)C)(C2)C)C1
Radiolabelling:
no
Computational methods:
Calculations by Molecular Connectivity Index (MCI) using the CAS number as input
Type:
Koc
Value:
117.1 L/kg
Transformation products:
no

None

Validity criteria fulfilled:
yes
Conclusions:
The predicted Koc for camphor using the Molecular Connectivity Index method from KOCWIN v2.00 is 117.1 L/kg.
Executive summary:

Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.

The Molecular Connectivity Index method predicted a Koc of camphor of 117.1 L/kg.

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-06 to 2017-11-06
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Use of valid QSAR
Justification for type of information:
QSAR prediction
Qualifier:
according to
Guideline:
other: Reach guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
Koc was calculated from Log Kow according to TGD 2003.
GLP compliance:
no
Remarks:
Calculated results
Type of method:
other: QSAR
Media:
soil
Radiolabelling:
no
Computational methods:
Koc was calculated from Log Kow according to equations defined by Sabljic and Güsten (1995) for non hydrophobic substances as reported in the
TGD, 2003: logKoc = 0.52 logKow + 1.02
Type:
Koc
Value:
181 L/kg
Transformation products:
no

None

Validity criteria fulfilled:
yes
Conclusions:
The Koc of camphor predicted from log Kow following equations of Sabljic and Güsten (1995) for non hydrophobic substances is 181 L/kg.
Executive summary:

Koc has been predicted by calculations using equations of Sabljic and Güsten (1995) for non hydrophobic substances.

The Koc of camphor predicted from log Kow is 181 L/kg.

Description of key information

Camphor exhibits a Koc of 179.66 L/kg, estimated by the use of QSAR Methods.

Key value for chemical safety assessment

Koc at 20 °C:
179.66

Additional information

There are no experimental value for adsorption/desorption. Estimated values have been generated by QSAR Methods. The calculation methods and Koc values are reported here below:

Estimation of Log Koc by TGD (2003) Equation for non hydrophobic: Log Koc = 2.26, Koc = 181 L/kg

MCl Method from KOCWIN v2.00: Log Koc = 2.07, Koc = 117.1 L/kg

Log Kow Method from KOCWIN v2.00 (Input log Kow = 2.38): Log Koc = 2.44, Koc = 273.6 L/kg

 

ECHA Guidance (chapter R.7.a,paragraph R.7.1.15) recommends calculating the Koc endpoint value as the geometric mean of results obtained by means of QSARs. Therefore, a key value for chemical safety assessment is calculated by the geometric mean of the values cited above:

Geometric mean of Koc = 179.66 L/kg

This gives a Log Koc = 2.25

This geometric mean value is considered as the endpoint defining the substance for adsorption and is used as input parameter for Environmental Risk Assessment.

[LogKoc: 2.25]