Registration Dossier

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
calculation (if not (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:
The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached below in Attached Justification as well as in IUCLID section 13)
Qualifier:
no guideline required
Principles of method if other than guideline:
Model(s) used: PETRORISK v7.04 that incorporates the updated TLM that resulted from the 2014 – 2016 Concawe projects performed in response to an ECHA compliance check
GLP compliance:
not specified
Type of method:
other: calculated
Remarks:
PETRORISK
Key result
Water solubility:
ca. 6.24 mg/L
Remarks on result:
other: pH and temperature are not calculated
Conclusions:
Water solublity calculated in PETRORISK for Hydrocarbons, C7 -C9, isoalkanes is ca. 6.24 mg/L.
Executive summary:

The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in the RSS justification as well as in IUCLID section 13).

 

Water solublity calculated in PETRORISK for Hydrocarbons, C7 -C9, isoalkanes is ca. 6.24 mg/L.

Description of key information

The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in the RSS justification as well as in IUCLID section 13).

 

Water solublity calculated in PETRORISK for Hydrocarbons, C7-C9, isoalkanes is ca. 6.24 mg/L.

Key value for chemical safety assessment

Water solubility:
6.24 mg/L

Additional information