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EC number: 954-736-0 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- 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 limited documentation / justification
- Justification for type of information:
- Water solubility and partition coefficient were not possible to determine using standard laboratory methods in view of the miscibility in octanol and non-measured solubility in water. Modelling based on C17 lower molecular weight fraction which in theory wuodl have the higher postnail water solubility.
Similar C17 - C22 hydrocarbons have been either assessed by laboratory methods or have been assessed by modelling and have comparible low solubility in water.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Use of EPISuite model. WSKow v1.42
- GLP compliance:
- no
- Type of method:
- other: QSAR assessment
Test material
- Reference substance name:
- Isoalkanes, C17 -C22 linear and branched
- EC Number:
- 954-736-0
- Molecular formula:
- C17H36 x C22H46
- IUPAC Name:
- Isoalkanes, C17 -C22 linear and branched
- Test material form:
- liquid
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- < 0.01 mg/L
- Conc. based on:
- test mat. (total fraction)
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: The pH is not relevant
- Details on results:
- Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0001108
log Kow used: 9.18 (estimated)
melt pt used: -10.00 deg C
Water Sol (Exper. database match) = 0.006 mg/L (25 deg C) (heptadecane)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Applicant's summary and conclusion
- Conclusions:
- Water solubility and partition coefficient were not possible to determine using standard laboratory methods in view of the miscibility in octanol and non-measured solubility in water.
Similar C17 - C22 hydrocarbons have been either assessed by laboratory methods or have been assessed by modelling and have comparible low solublity in water. Estimated < 0.01 mg/l
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