Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption, other
Remarks:
(Q)SAR calculated endpoint
Type of information:
(Q)SAR
Adequacy of study:
key study
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
Justification for type of information:
QSAR prediction: (Q)SAR method with established scientific validity
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR model
GLP compliance:
no
Remarks:
not relevant
Type of method:
other: QSAR model
Media:
other: QSAR model
Radiolabelling:
no
Test temperature:
QSAR model
Analytical monitoring:
no
Type:
Koc
Value:
1 451 L/kg
Remarks on result:
other: Estimate from MCI:
Type:
log Koc
Value:
3.162 L/kg
Remarks on result:
other: Koc Estimate from MCI
Type:
Koc
Value:
22 270 L/kg
Remarks on result:
other: Estimate from Log Kow
Type:
log Koc
Value:
4.348 L/kg
Remarks on result:
other: Estimate from Log Kow:

KOCWIN Program (v2.00) Results:

==============================

SMILES : CCCCCCCCCC

CHEM  : Stoddard solvent

MOL FOR: C10 H22

MOL WT : 142.29

--------------------------- KOCWIN v2.00 Results ---------------------------

 

 Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 4.914

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.1616

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

        Corrected Log Koc .................................. : 3.1616

 

                        Estimated Koc: 1451 L/kg  <===========

 

 Koc Estimate from Log Kow:

 -------------------------

        Log Kow (experimental DB) ......................... : 5.01

        Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 4.3478

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

        Corrected Log Koc .................................. : 4.3478

 

                        Estimated Koc: 2.227e+004 L/kg  <===========

Validity criteria fulfilled:
yes
Conclusions:
KOCWIN predicts a Koc value of 1451 L/kg (log Koc 3.1616)
The log of the adsorption coefficient (KOC) of Stoddard solvent was estimated to be log KOC = 3.1616 which is equal to a KOC value of 1451 using the KOCWIN v2.00 QSAR method. Estimate from MCI.

Executive summary:

The log of the adsorption coefficient (KOC) of Stoddard solvent was estimated to be log KOC = 3.1616 which is equal to a KOC value of 1451 using the KOCWIN v2.00 QSAR method. Estimate from MCI.

Description of key information

The log of the adsorption coefficient (KOC) of Stoddard solvent was estimated to be log KOC = 3.1616 which is equal to a KOC value of 1451 using the KOCWIN v2.00 QSAR method. Estimate from MCI.

Key value for chemical safety assessment

Koc at 20 °C:
1 451

Additional information

[LogKoc: 3.1616]