Registration Dossier
Registration Dossier
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EC number: 615-086-0 | CAS number: 70225-05-7
Boiling point
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:
- 2 000
- 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
- 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.
Constituent 1
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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