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Administrative data

Endpoint:
boiling point
Type of information:
other: 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 calculated using US EPA EPI Suite Estimation Program Interface v3.12 modeling program.

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 boiling point is estimated using MPBPWIN v1.41 in the US EPA EPI Suite v 3.12 (2000) computer model (i.e., modified Stein & Brown method).
GLP compliance:
no
Type of method:
other: EPI Suite v3.12

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

Boiling point
Boiling pt.:
645 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: estimated using US EPA EPI-Suite computer modeling program

Applicant's summary and conclusion

Conclusions:
The test substance has an estimated boiling point of 645 degree C at 1013 hPa
Executive summary:

The test substance has an estimated boiling point of 645 degree C at 1013 hPa

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