Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2008

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Study was carefully performed using standard instrumentation according to an ASTM method. However, the OECD method specifies somewhat different procedures than the ASTM method, and it was not conducted in accord with GLP guidelines.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: ASTM E1719-97 (Vapor Pressure Measurement by Ebulliometry) and ASTM D1120-94 (Standard Test Method for Boiling Point of Engine Coolants)

Deviations:

not specified

Principles of method if other than guideline:

The apparatus is a glassware reflux system. Pressure is measured and controlled using a JKEM Model 200 vacuum controller. The pressure transducer was calibrated on the day of measurement by comparison with full vacuum verified with a mercury McLeod gauge, and a mercury barometer located in the same laboratory. pot temperature was measured with an Extech RTD (resistance temperature detector).

GLP compliance:

no

Type of method:

dynamic method

Test material

Test material information

Constituent 1

Reference substance name:

MeDONA

IUPAC Name:

MeDONA

Details on test material:

- Name of test material (as cited in study report): CF3OC3F6OCFHCF2COOCH3 PF13 Methyl Ester
- Lot/batch no.: 146830-84

Results and discussion

Boiling point

Boiling pt.:

149.5 °C

Atm. press.:

760 mm Hg

Any other information on results incl. tables

The temperatures measured were that of the pot temperature, rather than distillate, as per ASTM E1719-97 (Vapor Pressure Measurement by Ebulliometry). (Figure 1) --> SEE ATTACHMENT 1

The data are fit by the Antoine equation:

ln(Pvap) = A / (T + C) + B

(Figure 2) --> SEE ATTACHMENT 2

Pvap (mm Hg) = exp(-2686.380034/(T °C + 160) + 15.311790) R²=0.998973

The value of the factor C was determined to be 160 by an iterative correction process. Based on this equation, the boiling point (at 760 mm Hg) obtained from this equation is: 149.5 °C.

Applicant's summary and conclusion

Conclusions:

The boiling point of MeDONA was determined to be 149.5 °C (301.1 °F) at 760 mm Hg

Executive summary:

The boiling point of MeDONA was extrapolated from the measured vapor pressures and temperatures for the compound. Measurements were made according to methods ASTM E1719-97 and ASTM D1120-94. Vapor pressure and temperature were measured at a variety of equilibrium points covering a temperature range of ca. 40 °C to ca. 150 °C and fit to the Antoine equation ln(VP) = A/(T+C)+B, where T is the pot temperature in °C. The linear regression equation was VP = exp(-2686.380034/(T °C + 160) + 15.311790). The extrapolated boiling point of MeDONA at 760 mm Hg was determined to be 149.5 °C.

The study was conducted under method ASTM E1719-97 and ASTM D1120-94. ASTM D1120 is cited in OECD TG 103, however the OECD method specifies somewhat different procedures. The dynamic method is approved for this endpoint per OECD TG 104§8. The study was not conducted in accord with GLP guidelines. Therefore, the study is classified as acceptable with restrictions.