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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2010 calculated
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The reliability rating was 2 because the data were estimated by calculation.

Data source

Reference
Reference Type:
other: Computer model
Title:
Unnamed
Year:
2000
Report date:
2010

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: computer model
Principles of method if other than guideline:
The log Kow was calculated using the WSKow (v1.41) Epi Suite (2000)(v.3.12) computer model that estimates the log Kow based upon chemical structure.
GLP compliance:
no
Type of method:
other: EPI Suite v3.12
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
IUPAC Name:
Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
Details on test material:
SMILES notation used: CC(CCCCCCCOC(=O)(c1cc(C(=O)(OCCCCCCCC(C)C))c(C(=O)(OCCCCCCCCCCC(C)C))cc1))C. This represent one of many possible isomeric structures for the ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride, the registrant test substance

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
16.01
Temp.:
25 °C
Remarks on result:
other: Estimated using EPI-Suite v3.12

Applicant's summary and conclusion

Conclusions:
The test substance has a calculated log Kow value of 16.01 using the US EPA EPI Suite v3.12 model.
Executive summary:

The test substance has a calculated log Kow value of 16.01 using the US EPA EPI Suite v3.12 model.

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