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Physical & Chemical properties

Water solubility

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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:
Remarks:
PETRORISK
Key result
Water solubility:
ca. 0.29 mg/L
Conc. based on:
other:
Remarks:
PETRORISK
Remarks on result:
other: pH and temperature are not calculated
Conclusions:
Water solublity calculated in PETRORISK is ca. 0.29 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 is ca. 0.29 mg/L.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Done in accordance with standard testing method however not under GLP.
Justification for type of information:
The justification for read across is provided as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Qualifier:
according to guideline
Guideline:
other: OECD 105
GLP compliance:
no
Type of method:
flask method
Key result
Water solubility:
< 0.1 g/L
Temp.:
20 °C
Remarks on result:
other: PH not measured
Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)
Isohexadecane can be considered as slightly soluble in water (solubility < 100 mg/L at 20°C)
Executive summary:

Reported solubility in water of isohexadecane is less than 100 mg/L at 20°C (company data), so isohexadecane can be considered as slightly soluble in water.

Description of key information

Hydrocarbons, C4, 1,3-butadiene-free, polymd., tetraisobutylene fraction, hydrogenated 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 is ca. 0.29 mg/L.

Key value for chemical safety assessment

Water solubility:
0.29 mg/L
at the temperature of:
20 °C

Additional information