Registration Dossier

Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1999
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
This study follows a dynamic method which is approved for this endpoint per OECD TG 103. It is unknown whether the study was conducted under OECD, ISO or ASTM guidelines. It is also not noted whether the study was conducted in accord with GLP guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1999
Report Date:
1999

Materials and methods

Test guideline
Qualifier:
no guideline followed
Deviations:
not applicable
Principles of method if other than guideline:
Vapor pressure was measured using a dynamic reflux method. The apparatus is a glassware reflux system with magnet stirring in the pot. Temperature is measured with a calibrated RTD (resistance temperature detector) positioned under the condenser so that the condensing liquid drips onto it. Pressure is measured and controlled using a J-KEM vacuum controller. Vacuum level was first set to the desired level, then the material was heated until there was a steady reflux at that pressure. Temperature and pressure were then recorded, and the pressure was raised to the next point and heated until a new reflux established, etc.

Extrapolation of the vapor pressure data, as measured in accordance to OECD 104, is an appropriate method to calculate the boiling point as per OECD 103. OECD 104§8 permits vapor pressure measurements by the dynamic method.
GLP compliance:
not specified
Type of method:
dynamic method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): F-15136

Results and discussion

Boiling point
Boiling pt.:
66.1 °C
Atm. press.:
760 mm Hg
Decomposition:
no

Any other information on results incl. tables

Experimentally determined Vapor pressure (Pvap) and temperature (T) data:

Table 1
Temp, °C Pvap, mmHg
21.2 130.9
30.9 217
34.8 242
47.75 406.1
64.8 733.5

The temperatures measured were that of the distillate.

Figure 1. (Vapor Pressure) --> SEE ATTACHMENT 1

The data are fit by the Antoine equation: ln(Pvap) = A / (T + C) + B

Figure 2. (ln(Pvap) vs 1/(T+C)) --> SEE ATTACHMENT 2

Pvap (mm Hg) = exp(-1292.1/(T°C+140)+12.901) r²=0.9987

The value of the factor C was determined to be 140 by an iterative correction process. Based on this equation, the boiling point (at 760 mm Hg) obtained from this equation is: 66.1 °C

Applicant's summary and conclusion

Conclusions:
The boiling point of PBSF was determined to be 66.1 °C at 760 mm Hg
Executive summary:

The boiling point of PBSF was extrapolated from the measured vapor pressures and temperatures for the compound. Measurements were made using a dynamic reflux method. Vapor pressure and temperature were measured at a variety of equilibrium points covering a temperature range of ca. 20 °C to ca. 65 °C and fit to the Antoine equation ln(VP) = A/(T+C)+B, where T is the distillate temperature in °C. The linear regression equation was VP = exp(-1292.1/(T°C+140) + 12.901). The extrapolated boiling point of PBSF at 760 mm Hg was determined to be 66.1 °C.

The dynamic method is approved for this endpoint per OECD TG 103. It is unknown whether the study was conducted under OECD, ASTM or ISO guidelines. It is also not noted whether the study was conducted in accord with GLP guidelines. Therefore, the study is classified as reliable with restrictions.