Registration Dossier

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 06 to 09 July 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study was considered as reliable without restriction because it is comply to GLP and OECD Guideline 104 without any deviation.   
Cross-referenceopen allclose all
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study

Data source

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

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
effusion method: by loss of weight or by trapping vaporisate

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: viscous liquid
Details on test material:
- Name of test material (as cited in study report): Bis(alkyl(C10-C13)phenyl)iodonium tetrakis(pentafluorophenyl)borate
- Physical state: clear amber high viscous liquid
- Batch: 11GP0077
- Date of Receipt: 13 February 2012
- Expiration date of the lot/batch: January 2014
- Storage condition of test material: Room temperature, keep away from light

Results and discussion

Vapour pressureopen allclose all
Temp.:
ca. 20 °C
Vapour pressure:
ca. 0 Pa
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0 Pa
Transition / decomposition
Transition / decomposition:
yes
Transition temp.:
ca. 135 °C

Any other information on results incl. tables

Findings:

Sample Weights

The mass of sample in the respective cell is presented in the following table:

Measurement Data:

Experiments 1 - 3 (nominal temperatures 30, 45 and 60 °C) showed no relevant and/or no reproducible weight loss. After the first measurement series at 135 °C, the test item had begun to change its colour to blue. The colour became more intense in the subsequent measurements, which is a sign for decomposition. Therefore, these experiments were not included in the evaluation and the measured data are not included in this report. They will be stored together with the other raw data of the study under GLP conditions. The data of the evaluated experiments is presented in the tables in remarks, attachments.

Observations

Upon inspection of the cells after the first measurement series at 135 °C, the test item had begun to change its colour to blue. The colour became more intense in the subsequent measurements. Therefore, all measurement series at 135 and 150 °C were not used for evaluation and the test was finished after the second measurement series at 150 °C.

Calculation Results

All calculation results are given in the tables below.In all tables, E-03 represents multiplication with 10-3.

Calculation Results Experiment 4

Experiment

4

 

 

 

 

 

 

 

 

Real Temperature in K

348.2

 

 

 

 

 

 

 

 

Real Temperature in °C

75.0

 

 

 

 

 

 

 

 

Date of Measurement

22.06.2012 13:45

24.06.2012 08:25

25.06.2012 10:45

Elapsed Time in s

79500

145500

92220

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00173

yes

3.69E-03

0.00183

yes

2.13E-03

0.00112

yes

2.06E-03

Knudsen-cell 2

0.00169

yes

3.61E-03

0.00193

yes

2.25E-03

0.00119

yes

2.19E-03

Knudsen-cell 3

0.00130

yes

2.77E-03

0.00202

yes

2.36E-03

0.00103

yes

1.89E-03

Knudsen-cell 4

0.00173

yes

3.69E-03

0.00179

yes

2.09E-03

0.00121

yes

2.23E-03

Mean

 

yes

3.44E-03

 

yes

2.21E-03

 

yes

2.09E-03

Standard deviation:

 

 

4.46E-04

 

 

1.21E-04

 

 

1.50E-04

Mean of measured values:

 

2.580E-03

 

 

 

 

 

 

Standard deviation:

 

7.478E-04

 

RSD:

29.0%

 

 

 

Experiment

5

 

 

 

 

 

 

 

 

Real Temperature in K

363.2

 

 

 

 

 

 

 

 

Real Temperature in °C

90.0

 

 

 

 

 

 

 

 

Date of Measurement

26.06.2012 13:15

27.06.2012 13:30

28.06.2012 13:25

Elapsed Time in s

87000

81900

80700

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.000178

yes

3.55E-03

0.00135

yes

2.86E-03

0.00064

yes

1.37E-03

Knudsen-cell 2

0.00179

yes

3.56E-03

0.00123

yes

2.60E-03

0.00096

yes

2.06E-03

Knudsen-cell 3

0.00163

yes

3.25E-03

0.00119

yes

2.52E-03

0.00087

yes

1.87E-03

Knudsen-cell 4

0.00179

yes

3.56E-03

0.00128

yes

1.64E-03

0.00079

yes

1.70E-03

Mean

 

yes

3.48E-03

 

yes

2.67E-03

 

yes

1.75E-03

Standard deviation:

 

 

1.56E-04

 

 

1.46E-04

 

 

2.92E-04

Mean of measured values:

 

2.634E-03

 

 

 

 

 

 

Standard deviation:

 

8.658E-04

 

RSD:

32.9%

 

 

 

Calculation Results Experiment 6

Experiment

6

 

 

 

 

 

 

 

 

Real Temperature in K

378.2

 

 

 

 

 

 

 

 

Real Temperature in °C

105.0

 

 

 

 

 

 

 

 

Date of Measurement

29.06.2012 13:45

30.06.2012 09:15

01.07.2012 08:30

Elapsed Time in s

82800

66300

80700

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00231

yes

4.93E-03

0.00154

yes

4.11E-03

0.00127

yes

2.78E-03

Knudsen-cell 2

0.00209

yes

4.46E-03

0.00135

yes

3.60E-03

0.00131

yes

2.87E-03

Knudsen-cell 3

0.00250

yes

5.34E-03

0.00181

yes

4.83E-03

0.00107

yes

2.34E-03

Knudsen-cell 4

0.00209

yes

4.46E-03

0.00176

yes

4.69E-03

0.00139

yes

3.05E-03

Mean

 

yes

4.80E-03

 

yes

4.31E-03

 

yes

2.76E-03

Standard deviation:

 

 

4.22E-04

 

 

5.66E-04

 

 

2.98E-04

Mean of measured values:

 

3.956E-03

 

 

 

 

 

 

Standard deviation:

 

1.064E-04

 

RSD:

26.9%

 

 

 

Calculation Results Experiment 7:

Experiment

7

 

 

 

 

 

 

 

 

Real Temperature in K

393.2

 

 

 

 

 

 

 

 

Real Temperature in °C

120.0

 

 

 

 

 

 

 

 

Date of Measurement

02.07.2012 13:25

03.07.2012 15:00

04.07.2012 13:15

Elapsed Time in s

100500

88200

76500

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00598

yes

1.07E-04

0.00346

yes

7.07E-03

0.00110

yes

1.61E-03

Knudsen-cell 2

0.00498

yes

8.93E-03

0.00354

yes

7.24E-03

0.00069

yes

1.01E-03

Knudsen-cell 3

0.00470

yes

8.43E-04

0.00318

yes

6.50E-03

0.00082

yes

1.20E-03

Knudsen-cell 4

0.00570

yes

1.02E-03

0.00416

yes

8.50E-03

0.00121

yes

1.77E-03

Mean

 

yes

9.58E-03

 

yes

7.33E-03

 

yes

1.40E-03

Standard deviation:

 

 

1.08E-03

 

 

8.45E-04

 

 

1.36E-03

Mean of measured values:

 

7.209E-03

 

 

 

 

 

 

Standard deviation:

 

2.432E-03

 

RSD:

33.7%

 

 

 

Evaluation

The measured values for temperature and vapour pressure were evaluated as follows:

Parameter

T

P

1/T

log P

Unit

K

Pa

1/K

log Pa

Values

348.2

2.58E-03

2.8719E-03

-2.5884

363.2

2.63E-03

2.7533E-03

-2.5794

   378.2  3.96E-03 2.6441E-03   -2.4028
   393.2  7.21E-03  2.5432E-03  -2.1421

In this table, E-03 represents multiplication with 10-3.

Graphs with log p vs. 1/T were plotted. One graph was plotted including the measurements at 75 °C and a second graph without this experiment. Since the values in both graphs were correlated by linear relationships, the data could be fitted by linear regression.

Results:

The following vapour pressures were determined experimentally and considered as valid (mean and standard deviation given):

 T  T  P  Stand. Dev. P  RSD
 C  K  Pa  Pa  %
 75.0  348.2  2.58E-03  7.48E-04  29.0%
 90.0  363.2  2.63E-03  8.66E-04  32.9%
 105.0  378.2  3.96E-03  1.06E-03  26.9%
 120.0  393.2  7.21E-03  2.43E-03  33.7%

For the test item PI2080, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation with and without the measurements at 75 °C:

Vapour Pressures at Ambient Temperature

   With Data from Experiment at 75 °C  Without Data from Experiment at 75°C
 Vapour pressure at 20 °C:  4.04 * 10-04 Pa  1.09 * 10-04 Pa
 Vapour pressure at 25 °C:  4.84 * 10-04 Pa  1.44 * 10-04 Pa

The linear regression of log p vs. 1/T using only the experiments 5 – 7 (90, 105 and 120°C) gave a correlation coefficient r of - 0.9911, showing good repeatability and better precision than the regression using additionally the experiment at 75 °C, which gave a correlation coefficient r of - 0.9299. As both evaluations lay in the same range, the determination is considered as valid and the higher vapour pressure is stated as result for safety reasons.

Applicant's summary and conclusion

Conclusions:
The vapour pressure of the test item PI2080 was determined at nine different temperatures (30, 45, 60, 75, 90, 105, 120, 135 and 150 °C) following EU A.4 using the effusion method (weight loss). Experiments 1 – 3 (nominal temperatures 30, 45, 60 °C) showed no relevant and/or reproducible loss. In experiments 8 and 9 (135 and 150 °C) the test item began to decompose, indicated by colour change of the test item to blue. Therefore, these experiments were not included in the evaluation.
Executive summary:

This study was performed in order to determine the vapour pressure of PI2080 according to the OECD 104 and EU method A.4 using the effusion method (weight loss). The method is based on the estimation of the mass of test item flowing out per unit of time of a Knudsen cell in the form of vapour. The vapour pressure was calculated by applying the Hertz-Knudsen relation.

Vapour pressure was examined at nine different temperatures. Four temperatures could be evaluated as they showed reproducible and relevant weight loss. For these temperatures, 1/T was plotted against log (P).

The graph 1/T vs. log (P) shows a straight line with a correlation coefficient of - 0.9911 when using the experiments 5 - 7 and with a correlation coefficient of - 0.9229 taking into account experiment 4 additionally. All vapour pressures calculated from both regression functions lay in the same range. Therefore, for the test item PI2080, the following slightly higher vapour pressures at 20 °C and at 25 °C, calculated from the regression equation including experiment 4, were stated as result for safety reasons:

Vapour pressure at 20 °C: 4.04 * 10-04 Pa

Vapour pressure at 25 °C: 4.84 * 10-04 Pa

This study was considered as reliable without restriction because it is comply to GLP and OECD Guideline 104 without any deviation.