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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
not appropriate
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
calculation of Koc by EpiSuite (v4.11) based on measured Kow and substance structure
Qualifier:
no guideline available
Principles of method if other than guideline:
log(Kow) for palladium(II) d(4-oxopent-2-en-2-oate) is detemined at 2.60 (Winkler, 2015).
Starting from this value and the molecular structure of palladium(II) d(4-oxopent-2-en-2-oate) (SMILES notation used: O(C(C)=CC(C)=O)[Pd]OC(C)=CC(C)=O (https://www.chemicalbook.com/CAS/mol/14024-61-4.mol, accessed 7 Sept 2020 ), the Koc value of the substance is calculated using EpiSuite v4.11.
GLP compliance:
no
Type of method:
other: calculation using EpiSuite v4.11
Computational methods:
The partition coefficient of Palladium (II) di(4-oxopent-2 -en-2-oate) was determined using the HPLC method as described in the European Commission Regulation (EC) No. 440/2008 in a GLP compliant study (Winkler, 2015). The log Kow was determined as 2.6 (at 25°C). This value was used as input parameter for the EpiSuite model.
The SMILES notation of Palladium (II) di(4-oxopent-2 -en-2-oate) as been copied into the model from https://www.chemicalbook.com/CAS/mol/14024-61-4.mol (accessed 7 Sept 2020) as O(C(C)=CC(C)=O)[Pd]OC(C)=CC(C)=O
The assessment was performed 7 September 2020. The estimated Koc value is 568.1 L/kg (using Kow method), corresponding to a log Koc of 2.754 (cfr EpiSuite output file Annex 1). This value is used further in the assessment of this substance.
Key result
Type:
Koc
Value:
568.1 L/kg
Temp.:
25 °C
Conclusions:
The Koc value of palladium(II) d(4-oxopent-2-en-2-oate) is calculated as 568.1 L/kg (log(Koc)=2.754).
Executive summary:

The Koc value of palladium(II) d(4-oxopent-2-en-2-oate) is calculated using EpiSuite v4.11 as 568.1 L/kg (log(Koc)=2.754).

Description of key information

A measured Kow value is available for the substance (Kow= 398.1; Winkler 2015). Including this value into the EpiSuite model gives a Koc estimate of 568.1 and this value Koc= 568.1 will be used further. The Kd(sed)value becomes then 28.41 and the  Kd(soil)value becomes then 11.4

Key value for chemical safety assessment

Koc at 20 °C:
568.1

Other adsorption coefficients

Type:
log Kp (solids-water in soil)
Value in L/kg:
1.057
at the temperature of:
25 °C

Other adsorption coefficients

Type:
log Kp (solids-water in suspended matter)
Value in L/kg:
1.453
at the temperature of:
25 °C

Additional information