Registration Dossier

Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
Episuite platform (version 4.11)

2. MODEL (incl. version number)
MPBPWIN version 1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES notations and chemical names used as input for the model. (see annex I of the attached QPRF).

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QPRF

5. APPLICABILITY DOMAIN
See attached QPRF

6. ADEQUACY OF THE RESULT
See attached QPRF

Data source

Reference
Reference Type:
other:
Title:
MPBPWin version 1.43
Author:
U.S. Environmental Protection Agency
Year:
2017
Bibliographic source:
US EPA. [2017]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The EPISuite v4.11 (Estimation Program Interface), developed by the US Environmental Agency's Office of Pollution and Toxics and Syracuse Research Corporation (SRC), inclused the MPBPWin for estimation boiling point.
(US Environmental Protection Agency for EPI Suite TM, © 2000-2017).
GLP compliance:
no
Type of method:
other: QSAR calculation

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent

Results and discussion

Boiling point
Key result
Boiling pt.:
> 1 000 °C
Atm. press.:
ca. 760 mm Hg

Any other information on results incl. tables

Predicted Values (model results)

Substance Name

Estimated Boiling Point

Constituent N°1

1084.53 °C

Constituent N°2

1179.86°C

Constituent N°3

1275.18°C

Constituent N°4

1370.51°C

(See QPRF report attached)

Applicant's summary and conclusion

Conclusions:
From the model MPBPWIN v1.43, the boiling point of the main constituents of the test item was estimated to be > 1000 °C
Executive summary:

The boiling point of the main constituents of the test item is estimated to be > 1000°C, using the QSAR prediction of the Estimation Programm Interface EPI-Suite v4.11.