Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method, EPI-Suite, EPA (USA)

Data source

Reference
Reference Type:
other: calculation
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / MPBPWIN v1.42
Type of method:
other: estimated by calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
2-phenylthioaniline
EC Number:
413-030-8
EC Name:
2-phenylthioaniline
Cas Number:
1134-94-7
Molecular formula:
C12H11NS
IUPAC Name:
2-(phenylsulfanyl)aniline

Results and discussion

Boiling point
Boiling pt.:
346.48 °C
Remarks on result:
other: (Adapted Stein & Brown method)

Any other information on results incl. tables

EPI-Suite calculation. No data on pressure is provided to be included under "Results and discussions".

Applicant's summary and conclusion

Conclusions:
The estimated boiling point is 346.48 ºC (EPI-Suite, MPBPWIN v1.42).
Executive summary:

The estimated boiling point is 346.48 ºC (EPI-Suite, MPBPWIN v1.42).