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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR using an accepted calculation method. The assessed substance is within the domain of the QSAR.
Qualifier:
no guideline followed
Principles of method if other than guideline:
No information available on test method.
GLP compliance:
no
Type of method:
other: QSAR
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-3.32
Remarks on result:
other: Chmelik, J et al. (1991)
Conclusions:
Log Kow: -3.32
The partition coefficient was retrieved from EpiSuite's WSKOW model.
Executive summary:

The partition coefficient was retrieved from EpiSuite's WSKOW model and the Log Kow found to be -3.32.

L-histidine is considered to be inside the applicability domain of the EpiSuite WSKOW model since the following criteria are fulfilled:

- the molecular weight of L-histidine is within the molecular weight range of the training set

- L-histidine is within the water solubility and log Kow range of the training set

- all functional groups present in L-histidine are represented in the training set and have a fragment coefficient available

Description of key information

Log Kow: -3.32   (estimated via QSAR)

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.32
at the temperature of:
25 °C

Additional information

The partition coefficient was estimated by EpiSuite's WSKOW model and the Log Kow found to be -3.32.

The suitability of the model was assessed and it was concluded that L-histidine is considered to be inside the applicability domain of the EpiSuite WSKOW model.