Registration Dossier

Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study well documented, meets generally accepted scientific principles, acceptable for assessment.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Test guideline
Qualifier:
equivalent or similar to
Guideline:
other: OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
not specified
Principles of method if other than guideline:
The boiling point of the test substance was determined by the static method using a static pressure cell. The sample was degassed by repeated evacuation of the cooled pressure cell to remove any air or inert gas from the sample. A static apparatus was used for the measurements. The apparatus was reported to be suitable at temperatures between 200 K and 500K and pressures up to 20 MPa. The degassed sample was charged into the evacuated static pressure cell, which was placed in a thermostatic oil bath. The pressure inside the cell was monitored using a pressure sensor (model PDCR 4010, pressure range 0 to 3.5 MPa). The pressure sensor was calibrated with a pressure balance (model 8000S or 21000, D&H). The temperature is measured with a Pt100 resistance thermometer (model 1502A, Hart Scientific). Known quantities of the liquid were injected into the equilibrium cell by a piston injector pump (model ISCO 260D pump). 17 vapor-liquid equilibrium measurements were made.
GLP compliance:
no
Type of method:
other: static method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: gas
Details on test material:
- Name of test material (as cited in study report: L-21609

Results and discussion

Boiling point
Boiling pt.:
-4.7 °C
Atm. press.:
760 mm Hg

Any other information on results incl. tables

17 temperature and vapor pressure pairs were measured at vapor-liquid equilibriums.

T / K

 T / °C

P / kPa

233.69

-39.46

 18.6

237.18

-35.98

 22.5

244.70

-28.45

 33.6

247.76

-25.39

 39.3

253.98

-19.17

 52.8

258.49

-14.66

 65.6

262.76

-10.39

 78.6

269.34

-3.81

105.2

273.32

0.17

124.7

277.45

4.30

144.7

283.21

10.06

180.2

287.39

14.24

207.9

293.18

20.03

253.1

298.86

25.71

303.6

308.12

34.97

401.7

316.12

42.97

503.6

323.80

50.65

618.5

 

The data are fit by the Antoine equation:

log (P/Torr) = A – B / (C + T/°C).

 

The resulting equation from these results is:

 

P (Torr) = 10^(6.74744-836.484/ (221.004 + T) <T in °C>

 

Therefore, the interpolated boiling temperature of C4 F-isonitrile is -4.7°C at 760 mm Hg.

Applicant's summary and conclusion

Conclusions:
The interpolated boiling point of C4 F-isonitrile is -4.7°C at 760 mm Hg.
Executive summary:

The boiling point of C4 F-isonitrile was determined using a static pressure cell. The boiling point of C4 F-isonitrile was interpolated from the measured vapor pressure and temperature values at vapor-liquid equilibriums. The data are fit by the Antoine equation: log (P) = A – B / (C + T). The interpolated boiling point of C4 F-isonitrile is -4.7°C at 760 mm Hg.

 

No guideline was followed, but the study was well documented and similar to OECD Guideline 104: “Vapour pressure”. Therefore this study is classified as reliable with restrictions