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EC number: 810-260-4 | CAS number: 1115251-57-4
Vapour pressure
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 for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: by loss of weight or by trapping vaporisate
Test material
- Reference substance name:
- 4,4’-Bis[sec-alkyl(C10-C13)phenyl]iodonium tetrakis(pentafluorophenyl)borate
- EC Number:
- 810-260-4
- Cas Number:
- 1115251-57-4
- IUPAC Name:
- 4,4’-Bis[sec-alkyl(C10-C13)phenyl]iodonium tetrakis(pentafluorophenyl)borate
- 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
Constituent 1
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 |
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
