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2003 APR 2*4 PH 2: 2 8
Vapor Pressure Determination: 8-2 Telomer B Alcohol
D uPont report 12735
8-2 Telomer B Alcohol, C8F17CH2CH2OH: Vapor Pressure
Test Guideline(s)
Authors
Mary A. Kaiser, Ph.D. (study director) Daryl P. Cobranchi, Ph.D. Chin Ping Kao Robert C Buck, Ph. D.
Study Completion Date
16 July 2002
Report Date 21 March 2003
Test Facility
DuPont Corporate Center for Analytical Sciences Experimental Station 402/5321 Wilmington, DE 19880-0402 And DuPont Center for Engineering Research Experimental Station 320 Wilmington, DE 19880-0320
Sponsor Telomer Research Panel c/o Rand Corporation
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
2 Table of Contents
Title Page..............................................................................................................................................1 Table of Contents.................................................................................................................................2 1.0 Summary.....................................................................................................................................3 2.0 General Study Information.........................................................................................................3 3.0 Materials and Methods............................................................................................................... 4
3.1 Test Guidelines....................................................................................................................... 4 3.2 Chemical System.................................................................................................................... 5 3.3 Test Vehicle.............................................................................................................................5 3.4 Parameters Observed.............................................................................................................. 6 3.5 Result Analysis....................................................................................................................... 6 3.6 Validity Criteria of the Study.................................................................................................6 4.0 Results and Discussion............................................................................................................... 7 5.0 Conclusions.................................................................................................................................7 6.0 Retention of Records.................................................................................................................. 7 7.0 Disposal of Test Item................................................................................................................. 7 8.0 Reference..................................................................................................................................... 7 Figures Figure 1 Scott Method Apparatus.......................................................................................................8 Figure 2 Vapor Pressure: 8-2 TelomerB Alcohol............................................................................. 9
Table Table 1. Vapor Pressure V alues....................................................................................................... 9
Appendix Appendix A Chemical Analysis Summay........................................................................................10
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
8-2 Telom erB A lcohol, C8F17CH2CH2OH: Vapor Pressure
Authors
Mary A. Kaiser, Ph.D. (study director) Daryl P. Cobranchi, Ph.D. Robert C Buck, Ph. D. Chin Ping Kao
1.0 Summary
Test System: 8-2 Telomer B Alcohol, C8F17CH2CH2OH, was used to determine its vapor pressure as a function of temperature.
Findings:
The vapor pressure at 23C is approximately 3 Pa (0.022 Torr).
Conclusions:
The vapor pressure of 8-2 Telomer B alcohol ranged from 3 Pa at 23 C to lOlkPa at 201C.
2.0 General Study Information
Study Objectives The objective of this study was to determine the vapor pressure o f 8-2 Telomer B Alcohol, C8F 17CH2CH2OH, under defined conditions between 25C and 200C.
Test System Justification The test system was determined by the sponsor.
Study Personnel
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
Management: Study Director: Principle Investigator: Technical Personnel:
Marianne Marsi, Ph.D. Mary A. Kaiser, Ph.D. Daryl P. Cobranchi, Ph.D. Barry W. Wolstenholme
Study Execution Dates
Study Initiation Date: Experimental Start Date: Experimental Completion Date: Study Completion Date:
15-Jun-2001 15-Jun-2001 28-June 2002 12-July 2002
3.0 Materials and Methods
3.1 Test Guidelines
The vapor pressure of a substance is defined as the saturation pressure above a solid or liquid substance. At thermodynamic equilibrium, the vapor pressure is only a function o f temperature. The SI unit o f pressure which should be used is the Pascal (Pa, Newton/m2). Units which have been employed historically are 1 Torr (mm Hg) =1.33 x 102 Pa; 1 atmosphere = 1.013 x 105Pa; 1 bar = 105 Pa. A modified OECD Guideline 104 (modified) was used for this measurement.
3.2.1 Chemical System
3.2.1.1 Test Substance
The test substance was obtained from Clariant Gmbh (Germany) and was shown to be 99.2% pure via gas chromatography. No other alcohol or iodide impurities were detected. The major impurity (0.8% by area) is tentatively identified as C7Fi5CF=CH2OH based on the mass spectral fragmentation pattern.
Name:
8-2 Telomer B Alcohol
Synonym:
(Perfluorooctyl)ethanol
Active substance(s)
8-2 Telomer B Alcohol, 99.2%
CAS Name:
1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10heptadecafluoro-
CAS Number(s):
678-39-7
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
Structure:
H Number Lot Number: EMSE Sample Number: Concentration, nominal: Concentration, analyzed: Certificate o f Analysis Date: Date Received: Solubility at 25C.: Vapor pressure: Stability: Appearance/Color: Storage Conditions:
H-24691 P.00/001 E93386-63 99% 99.2% 03-Apr. 2001 15-June -2001 -140 pg L' 1 TBD via this report Stable at ambient room temperature White solid Room temperature; keep tightly closed
3.2.1.2
Test Vehicle
The test substance was the 8 2 Telomer B alcohol.
3.3 Test Conduct
Two techniques were used to obtain the vapor pressure. The first method was based on a dynamic measurement procedure by Scott1where the equilibrium temperature is measured at a controlled pressure. Approximately 30 grams o f alcohol was placed in a boiler. The pressure was held constant to 0.01% (O.OlkPa) and measured to an accuracy o f 0.01%. The apparatus consisted o f a Mensor (San Marcos, TX) PCS400 pressure controller, a Paroscientific (Redmond, WA) 740 pressure transducer, and a Hart Scientific (American Fort UT) stack base unit for
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
temperature measurement. The temperature varied from 80 to 200 C. A diagram o f the apparatus is given in Figure 2. Table 1 shows the individual data points.
The second procedure was based on the EPA OPPT S gas saturation method2. This second procedure is intended to confirm the linearity o f the curve obtained at the higher temperatures from the Scott method. The alcohol was placed directly in a glass thermostated tube. Gas-chromatographic grade helium (99.999%) flowed over the powder. The flow was controlled by a flow controller on a Hewlett Packard (now Agilent, Little Falls, DE) model 5890 gas chromatograph. Due to the adsorptive properties o f the alcohol, the vapor pressure was calculated from weight loss rather than from the weight o f trapped material downstream. The vapor pressure at 21 C was 0.02 Torr. Figure 3 gives the vapor pressure curve obtained from both sets o f measurements.
3.3 Parameters Observed
With the Scott apparatus, pressure and temperature are observed. With the GC/MS apparatus, peak height and peak area are observed.
3.4 Result Analysis
With the GC/MS apparatus the peak height or area is compared to the same parameter o f a standard carefuly prepared in methanol.
3.5 Validity Criteria o f the Study
For GC/MS the peak areas o f standards run before and after the test substance are compared. The results must agree within 5%.
4.0 Results and Discussion
The vapor pressure o f the Telomer B 8-2 alcohol varied continuously from 3 Pa at 21 C to 101 kPa at 201 C. The results from the single point taken at 21 C were aligned with the results from the 11 points taken at elevated temperatures taken by the Scott method.
5.0 Conclusions
The vapor pressure of the Telomer B 8-2alcohol is 3 Pa at 21 C and 101 kPa at 201C.
6.0 Retention of Records
Study documents and materials will be stored in the archives o f the DuPont Experimental Station including but not limited to:
study protocol; any protocol and/or report amendments or addenda or deviations; all raw data; one original signed copy o f the final report;
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
laboratory-specific or site-specific raw data such as personnel files, instrument, equipment, refrigerator, and/or freezer raw data.
7.0 Disposal of Test Item
After issuance o f the final report, the remaining test substance will be stored at the DuPont Glasgow site until its expiration date and then destroyed by burning, unless other arrangements are made between the sponsor and the Test Facility.
8.0 References
1. L. Scott, "Determination o f Activity Coefficients by Accurate Measurement o f Boiling Point Diagram", Fluid Phase Equilibrium, 26,(1986), 149-163.
2. United States Environmental Protection Agency, Prevention, Pesticides and Toxic Substances (7101), OPPTS 830.7950, Vapor Pressure, August 1995, page 4, Gas Saturation Method.
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
Figure 1. Scott Method Apparatus
Boiler
Plumai rmiict
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
Figure 2. Vapor Pressure: 8-2 Telomer B Alcohol
Tem perature (C)
Table 1. Vapor Pressure Values
Tem perature (C) Vapor Pressure (Torr) Vapor Pressure (Pa)
Method
21 0.022
3 G as Saturation Method
84 5
708 Scott Method
9 6 11
1465
Scott Method
107 21
2774
Scott Method
119 37
4910
Scott Method
130 62
8284
Scott Method
142 103
13798
Scott Method
155 171
22752
Scott Method
166 258
34449
Scott Method
179 388
51667
Scott Method
190 543
72339
Scott Method
201
755
100607
Scott Method
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Vapor Pressure Determination: 8-2 Telomer B Alcohol
Appendix A
Chemical Analysis Summary 2-Perfluorooctyl ethanol : C8 F1 7 CH2 CH2 OH
H-24691
Analysis Summary
The subject material was analyzed by gas-chromatography using a standard method to assess its composition. This analysis showed that the material comprised 99.2% of the subject material. The balance, 0.8%, was not another Telomer B alcohol, or Telomer B Iodide at a limit of quantitation of 0.02%. Further analysis by GC/MS suggests that the 0.8% is a single impurity, whose chemical structure is C jF -^ C F ^ H C h ^ O H .
Finally, the subject material was evaluated by High Performance Liquid Chromatograpy - Tandem Mass Spectrometry (LC/MS/MS) for the presence of perfluorooctyl sulfonic acid and perfluorooctanoic acid at a detection limit of 0.1 ppm. Neither material was observed to be present.
Based upon these analyses, we conclude that methods are in hand to determine and confirm the composition of H-24691 to be as follows:
Material C8 F1 7 CH2 CH2 OH 2-Perfluorooctyl ethanol C7F15CF=CHCH20H
Wt%_(+0.3) 99.2 0.8
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