Alcohols, C8-14, γ-ω-perfluoro

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: read across from the main component

Data source

Reference

Reference Type:

publication

Title:

Physicochemical Properties of 8-2 Fluorinated Telomer B Alcohol

Author:

Mary A. Kaiser, Daryl P. Cobranchi, Chien-Ping Chai Kao, Paul J. Krusic, Alexander A. Marchione and Robert C. Buck

Year:

2004

Bibliographic source:

J. Chem. Eng. Data 2004, 49, 912-916

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Test guideline 3

Qualifier:

according to guideline

Guideline:

other: gas-phase NMR

Principles of method if other than guideline:

Gaz-phase NMR method:
This is a novel method whihc is based on gas-phase NMR that has been used recently (with proton and fluorine detection) to study the kinetics of a variety of reactions of organic and fluoro-organic compounds in the vapor phase at temperatures up to 400 °C. This method measures the vapor density at various temperatures relative to that of a much more volatile internal mass standard present in much smaller molar amounts of the order of 1 mol %. The vapor density is then converted to vapor pressure using the ideal gas law or another appropriate equation of state.

Type of method:

dynamic method

Remarks:

also Gaz saturation method and gaz-phase NMR

Test material

Test material information

Constituent 1

Reference substance name:

8-2 Telomer B alcohol

IUPAC Name:

8-2 Telomer B alcohol

Constituent 2

Reference substance name:

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

EC Number:

211-648-0

EC Name:

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

Cas Number:

678-39-7

Molecular formula:

C10H5F17O

IUPAC Name:

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

Constituent 3

Reference substance name:

1-decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,- 10,10,10-heptadecafluoro

IUPAC Name:

1-decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,- 10,10,10-heptadecafluoro

Test material form:

solid: compact

Details on test material:

The 8-2 Telomer B alcohol (CAS number 678-39-7; CAS name: 1-decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,-10,10,10-heptadecafluoro) was obtained from Clariant (Germany) and was shown to be 99.2% pure via gas chromatography.
The major impurity (0.8% by area) was tentatively identified as C7F15CF=CHCH2OH based on the mass spectral fragmentation pattern.
Melting point (Clariant): 48-50 °C. All solutions were prepared in ultrapure water.

Results and discussion

Vapour pressure

Temp.:

21 °C

Vapour pressure:

3 Pa

Any other information on results incl. tables

Vapor Pressures of Telomer 8-2 Alcohol

 

temperature	vapor Pressure		method
t/°C	P/Pa	P/Torr
21	3	0.022	gas-saturation method
84	708	5	Scott method
96	1465	11	Scott method
107	2774	21	Scott method
119	4910	37	Scott method
124	5100	38.3	NMR spectroscopy
130	8284	62	Scott method
142	13798	103	Scott method
148	15267	115	NMR spectroscopy
155	22752	171	Scott method
157	23400	176	NMR spectroscopy
166	34449	258	Scott method
167	32000	240	NMR spectroscopy
172	35667	268	NMR spectroscopy
179	51667	388	Scott method
190	72339	543	Scott method
195	75750	568	NMR spectroscopy
201	100607	755	Scott method
225	162100	1220	NMR spectroscopy

 

Applicant's summary and conclusion

Conclusions:

The 8:2 FTOH which is the main constituant of the substance has a vp = 3 Pa at 21°C

Executive summary:

The vapor pressure of the 8-2 Telomer B alcohol varies from 3 Pa at 21 °C to 101 kPa at 201 °C.

An excellent least-squares fit of the data, including the low temperature measurement by the gas saturation method, was obtained using the Antoine equation, log(P/kPa) = a- b/(c + t/°C) with the parameters a = 6.457, b = 1623, and c = 163.3. Convergence to these values was independent of the starting parameters of the fit. A boiling point of 201.3 °C was extracted (vapor pressure at 101.325 kPa). Excluding the gas saturation value from the data to be fitted has no effect on the resulting Antoine parameters, as expected by the fact that it is several orders of magnitude smaller than the Scott data at substantially higher temperatures. It is reassuring, therefore, keeping in mind the difficulties in extrapolating exponential behavior far from the range of the measurements, that the gas saturation point (3 Pa, 0.023 Torr at 21 °C) falls so close to the extrapolated value based on the Antoine equation (7 Pa at

21 °C).