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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption, other
Remarks:
other: QSAR
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
up to 2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, acceptable with restrictions
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
KOCWIN Program (v2.00) uses MCI and a series of group contribution factors to predict Koc.
GLP compliance:
no
Remarks:
QSAR
Type of method:
other: QSAR
Media:
other: QSAR
Specific details on test material used for the study:
SMILES: C(C(C=CC12)C1)(C2C=C3)C3
Chem: 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-
Molecular formula: C10 H12
Molecular weight: 132.21
Radiolabelling:
no
Test temperature:
N/A
Details on study design: HPLC method:
N/A
Analytical monitoring:
not required
Remarks:
QSAR
Details on sampling:
N/A
Details on matrix:
N/A
Details on test conditions:
N/A
Computational methods:
KOCWIN Program (v2.00) uses MCI (molecular connectivity index) and a series of group contribution factors to predict Koc.
Key result
Type:
log Koc
Value:
3.18
Remarks on result:
other: Koc Estimate from MCI
Key result
Type:
log Koc
Value:
2.74
Remarks on result:
other: Koc Estimate from Log Kow
Details on results (HPLC method):
N/A
Adsorption and desorption constants:
N/A
Recovery of test material:
N/A
Concentration of test substance at end of adsorption equilibration period:
N/A
Concentration of test substance at end of desorption equilibration period:
N/A
Details on results (Batch equilibrium method):
N/A
Statistics:
N/A

N/A

Validity criteria fulfilled:
not applicable
Remarks:
QSAR
Conclusions:
The log Koc of DCPD has been estimated using QSAR models to be 2.74 (Kow method) and 3.18 (MCI method).
Executive summary:

The Koc of DCPD has been estimated using QSAR models (USEPA 2008). KOCWIN Program (v2.00) uses MCI (molecular connectivity index) and a series of group contribution factors to predict Koc.

The value for the MCI index method, which is normally more reliable, was taken for the CSA. The predictions are considered reliable as DCPD falls within the model domain, as the range of physicochemical properties defined by the training set of the model and all of its fragments are covered in the list of fragments used to develop the prediction

Description of key information

The Koc of DCPD has been estimated using QSAR models (USEPA 2008). KOCWIN Program (v2.00) uses MCI (molecular connectivity index) and a series of group contribution factors to predict Koc. The corresponding log Koc values are 3.18 (MCI method) and 2.74 (Kow method).

Key value for chemical safety assessment

Koc at 20 °C:
1 514

Additional information