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EC number: 946-383-6 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23. Jan. 2018 to 27. Feb. 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- OECD Guidelines for the Testing of Chemicals, Method No. 104, adopted 23. Mar. 2006: “Vapour Pressure“
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- Commission Regulation (EC) No 761/2009 of 23. July 2009, published on 24. Aug. 2009 Method A.4: “Vapour Pressure”
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: Knudsen cell
- Specific details on test material used for the study:
- No further details specified in the study report.
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- For the test item Trixene AS, the following vapour pressures at 20°C and at 25°C were calculated from the regression equation:
Vapour pressure at 20°C: 4.36E-6 Pa
Vapour pressure at 25°C: 1.00E-5 Pa
The linear regression of log p vs. 1/T gave a correlation coefficient r of - 0.9989, showing good repeatability and precision. Therefore, the determination is considered as valid. - Executive summary:
Determination of the Vapour Pressure of Trixene AS ac-cording to OECD 104 resp. EU A.4 using the effusion method: Knudsen Cell.
Findings and Results:
The vapour pressure of Trixene AS was determined according to OECD 104 resp. EU A.4 using the effusion method (weight loss).
Vapour pressure was examined at six different temperatures. Three temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (p).
Vapour Pressures (Effusion Method)
Experiment
T
Mean p
Stand. Dev. p
RSD p
No.
K
Pa
Pa
%
3
333.2
1.79E-03
4.53E-04
25.3%
4
348.2
102E-02
2.72E-03
26.8%
5
363.2
6.63E-02
1.45E-02
21.9%
In this table, E-0X represents multiplication with 10-x.
Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation
The graph 1/T vs. log (p) shows a straight line with a correlation coefficient of - 0.9989.
For the test item Trixene AS, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 4.36 * 10-06Pa
Vapour pressure at 25 °C: 1.00 * 10-05Pa
Reference
FINDINGS
Sample Weights
The mass of sample in the respective cell is presented in the following table:
Sample Weights
Parameter |
Cell empty |
Cell + test item |
Cell + test item + cap |
Test item |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
2.57338 |
3.85744 |
4.06851 |
1.28406 |
Knudsen-cell 2 |
2.56881 |
3.89945 |
4.11356 |
1.33064 |
Knudsen-cell 3 |
2.53824 |
3.83578 |
4.04864 |
1.29754 |
Knudsen-cell 4 |
2.55390 |
3.86293 |
4.07445 |
1.30903 |
Measurement Data
The data of the evaluated experiments is presented in the following tables:
Measurement Data Experiment 1
Experiment |
1 |
|
|
|
Nom. Temperature |
30 |
°C |
|
|
Date and time START |
|
23.01.2018 14:35 |
24.01.2018 12:25 |
25.01.2018 12:28 |
Date and time END |
|
24.01.2018 11:25 |
25.01.2018 11:20 |
26.01.2018 11:30* |
Parameter |
Weight m |
Weight m |
Weight m |
Weight m |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
4.06851 |
4.06839 |
4.06869 |
4.06853 |
Knudsen-cell 2 |
4.11356 |
4.11349 |
4.11380 |
4.11368 |
Knudsen-cell 3 |
4.04864 |
4.04863 |
4.04896 |
4.04892 |
Knudsen-cell 4 |
4.07445 |
4.07440 |
4.07473 |
4.07460 |
*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.
Measurement Data Experiment 2
Experiment |
2 |
|
|
|
Nom. Temperature |
45 |
°C |
|
|
Date and time START |
|
29.01.2018 11:44 |
30.01.2018 12:10 |
31.01.2018 12:23 |
Date and time END |
|
30.01.2018 11:10 |
31.01.2018 11:30 |
01.02.2018 11:15 |
Parameter |
Weight m |
Weight m |
Weight m |
Weight m |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
4.06853 |
4.06821 |
4.06792 |
4.06793 |
Knudsen-cell 2 |
4.11368 |
4.11338 |
4.11325 |
4.11322 |
Knudsen-cell 3 |
4.04892 |
4.04853 |
4.04833 |
4.04832 |
Knudsen-cell 4 |
4.07460 |
4.07419 |
4.07396 |
4.07397 |
Measurement Data Experiment 3
Experiment |
3 |
|
|
|
Nom. Temperature |
60 |
°C |
|
|
Date and time START |
|
01.02.2018 12:10 |
05.02.2018 11:10 |
06.02.2018 12:40 |
Date and time END |
|
02.02.2018 10:00* |
06.02.2018 11:45 |
07.02.2018 11:45* |
Parameter |
Weight m |
Weight m |
Weight m |
Weight m |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
4.06793 |
4.06762 |
4.06709 |
4.06664 |
Knudsen-cell 2 |
4.11322 |
4.11296 |
4.11226 |
4.11212 |
Knudsen-cell 3 |
4.04832 |
4.04800 |
4.04750 |
4.04689 |
Knudsen-cell 4 |
4.07397 |
4.07364 |
4.07305 |
4.07240 |
*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.
Measurement Data Experiment 4
Experiment |
4 |
|
|
|
Nom. Temperature |
75 |
°C |
|
|
Date and time START |
|
12.02.2018 10:00 |
13.02.2018 12:35 |
14.02.2018 12:35 |
Date and time END |
|
13.02.2018 11:25 |
14.02.2018 11:50 |
15.02.2018 13:30 |
Parameter |
Weight m |
Weight m |
Weight m |
Weight m |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
4.06664 |
4.06374 |
4.06296 |
4.06119 |
Knudsen-cell 2 |
4.11212 |
4.10882 |
4.10710 |
4.10479 |
Knudsen-cell 3 |
4.04689 |
4.04335 |
4.04098 |
4.03873 |
Knudsen-cell 4 |
4.07240 |
4.06801 |
4.06502 |
4.06179 |
Measurement Data Experiment 5
Experiment |
5 |
|
|
|
Nom. Temperature |
90 |
°C |
|
|
Date and time START |
|
15.02.2018 14:20 |
19.02.2018 07:45 |
20.02.2018 07:50 |
Date and time END |
|
16.02.2018 11:20* |
20.02.2018 06:48 |
21.02.2018 07:10 |
Parameter |
Weight m |
Weight m |
Weight m |
Weight m |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
4.06119 |
4.05388 |
4.03785 |
4.02314 |
Knudsen-cell 2 |
4.10479 |
4.09380 |
4.07511 |
4.05576 |
Knudsen-cell 3 |
4.03873 |
4.02750 |
4.01000 |
3.99259 |
Knudsen-cell 4 |
4.06179 |
4.04822 |
4.02693 |
4.00977 |
*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.
Measurement Data Experiment 6
Experiment |
6 |
|
|
|
Nom. Temperature |
105 |
°C |
|
|
Date and time START |
|
21.02.2018 08:30 |
22.02.2018 08:10 |
26.02.2018 11:30 |
Date and time END |
|
22.02.2018 06:55 |
23.02.2018 07:00* |
27.02.2018 11:45 |
Parameter |
Weight m |
Weight m |
Weight m |
Weight m |
Unit |
g |
g |
g |
g |
Knudsen-cell 1 |
4.02314 |
3.99294 |
3.97475 |
3.96142 |
Knudsen-cell 2 |
4.05576 |
4.01903 |
4.00541 |
3.99599 |
Knudsen-cell 3 |
3.99259 |
3.95871 |
3.94358 |
3.93324 |
Knudsen-cell 4 |
4.00977 |
3.97750 |
3.96299 |
3.95172 |
*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.
CALCULATION OF RESULTS
Equation
The vapour pressure was calculated using the following equation:
p = (m/KAt)√(2ᴨRT/M)
with
Equation Parameters
Parameter |
Explanation |
Source/Value |
p |
Vapour pressure in Pa |
To be calculated |
m |
Weight loss in kg |
Value given in tables (calculation results) is divided by 1000 |
t |
Time in s |
As given in tables (calculation results) |
A |
Area of aperture in m2 |
7.854 * 10-7/m2 |
K |
Correction factor |
0.909 |
R |
Universal gas constant in J/Mol*K |
8.314472 |
T |
Temperature in K |
As given int able (calculation results) |
M |
Molecular weight in kg/Mol |
0.3042 |
The correction constant is dependent upon the relation length/radius of the aperture of the Knudsen cell and is stated in the literature as follows:
Correction factor K
Relation |
0.2 |
K |
0.909 |
With the chosen length of the aperture 0.1 mm and the chosen radius 0.5 mm, a relation of 0.2 was calculated, and a correction factor of 0.909 was used.
Calculation Results
The calculation results of experiment 3 – 5 (nominal temperature 60 -90 °C) are given in the tables below.
In all table, E-0X represents multiplication with 10-X. Experiment 1-2 and 6 (nominal temperature 30 – 45 and 105 °C) showed no reproducible weight loss. Therefore, they were not used for calculation.
Calculation Results Experiment 3
Experiment |
3 |
|
|
|
|
|
|
|
|
Real Temperature in K |
333.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
60.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
02.02.2018 10:00 |
06.02.2018 11:45 |
07.02.2018 11:45 |
||||||
Elapsed Time in s |
78600 |
88500 |
83100 |
||||||
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 |
0.00031 |
yes |
1.32E-03 |
0.00053 |
yes |
2.01E-03 |
0.00045 |
yes |
1.81E-03 |
Knudsen-cell 2 |
0.00026 |
yes |
1.11E-03 |
0.00070 |
yes |
2.65E-03 |
0.00014 |
yes |
5.64E-04 |
Knudsen-cell 3 |
0.00032 |
yes |
1.36E-03 |
0.00050 |
yes |
1.89E-03 |
0.00061 |
yes |
1.64E-03 |
Knudsen-cell 4 |
0.00033 |
yes |
1.41E-03 |
0.00059 |
yes |
2.23E-03 |
0.00065 |
yes |
2.62E-03 |
Mean |
|
yes |
1.30E-03 |
|
yes |
2.20E-03 |
|
yes |
1.86E-03 |
Standard deviation: |
|
|
1.33E-04 |
|
|
3.34E-04 |
|
|
9.34E-04 |
Mean of measured values: |
|
1.787E-03 |
|
|
|
|
|
|
|
Standard deviation: |
|
4.529E-04 |
RSD: |
25.3% |
|
|
|
|
Calculation Results Experiment 4
Experiment |
4 |
|
|
|
|
|
|
|
|
Real Temperature in K |
347.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
75.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
13.02.2018 11:25 |
14.02.2018 11:50 |
15.02.2018 13:20 |
||||||
Elapsed Time in s |
91500 |
83700 |
89100 |
||||||
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 |
0.00290 |
yes |
1.09E-02 |
0.00078 |
yes |
3.19E-03 |
0.00177 |
yes |
6.80E-03 |
Knudsen-cell 2 |
0.00330 |
yes |
1.24E-02 |
0.00172 |
yes |
7.04E-03 |
0.00231 |
yes |
8.88E-03 |
Knudsen-cell 3 |
0.00354 |
yes |
1.33E-02 |
0.00237 |
yes |
9.70E-03 |
0.00225 |
yes |
8.65E-03 |
Knudsen-cell 4 |
0.00439 |
yes |
1.64E-02 |
0.00299 |
yes |
1.22E-02 |
0.00323 |
yes |
1.24E-02 |
Mean |
|
yes |
1.32E-02 |
|
yes |
8.04E-03 |
|
yes |
9.19E-03 |
Standard deviation: |
|
|
2.36E-03 |
|
|
3.87E-03 |
|
|
2.34E-03 |
Mean of measured values: |
|
1.015E-02 |
|
|
|
|
|
|
|
Standard deviation: |
|
2.722E-03 |
RSD: |
26.8% |
|
|
|
|
Calculation Results Experiment 5
Experiment |
5 |
|
|
|
|
|
|
|
|
Real Temperature in K |
363.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
90.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
16.02.2018 11:20 |
20.02.2018 06:48 |
21.02.2018 07:10 |
||||||
Elapsed Time in s |
75600 |
82980 |
84000 |
||||||
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 |
0.00731 |
yes |
3.38E-02 |
0.01603 |
yes |
6.76E-02 |
0.01471 |
yes |
6.13E-02 |
Knudsen-cell 2 |
0.01099 |
yes |
5.09E-02 |
0.01869 |
yes |
7.88E-02 |
0.01935 |
yes |
8.06E-02 |
Knudsen-cell 3 |
0.01123 |
yes |
5.20E-02 |
0.01750 |
yes |
7.38E-02 |
0.01741 |
yes |
7.25E-02 |
Knudsen-cell 4 |
0.01357 |
yes |
6.28E-02 |
0.02129 |
yes |
8.98E-02 |
0.01716 |
yes |
7.15E-02 |
Mean |
|
yes |
4.99E-02 |
|
yes |
7.75E-02 |
|
yes |
7.15E-02 |
Standard deviation: |
|
|
1.20E-02 |
|
|
9.38E-03 |
|
|
7.92E-03 |
Mean of measured values: |
|
6.626E-02 |
|
|
|
|
|
|
|
Standard deviation: |
|
1.452E-02 |
RSD: |
21.9% |
|
|
|
|
Evaluation
The measured values for temperature and vapour pressure were evaluated as follows:
Evaluation of Calculated Values
Parameter |
T |
Mean p |
1/T |
Log p |
Unit |
K |
Pa |
1/K |
Log Pa |
Values |
333.2 |
1.79E-03 |
3.0012E-03 |
-2.7479 |
348.2 |
1.02E-02 |
2.8719E-03 |
-1.9935 |
|
363.2 |
6.63E-02 |
2.7533E-03 |
-1.1787 |
In this table, E-0X represents multiplication with 10-X.
RESULTS
Test item
The following vapour pressures were determined experimentally and considered as valid (mean and standard deviation given):
Experimentally Determined Vapour Pressures
T |
T |
p |
Stand. Dev. p |
RSD p |
°C |
K |
Pa |
Pa |
% |
60.0 |
333.2 |
1.79E-03 |
4.53E-04 |
25.3% |
75.0 |
348.2 |
1.02E-02 |
2.72E-03 |
26.8% |
90.0 |
363.2 |
6.63E-02 |
1.45E-02 |
21.9% |
In this table, E-0X represents multiplication with 10-X.
Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation
For the test item Trixene AS, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Results Test Item
Vapour pressure at 20 °C: |
4.36 * 10-06Pa |
Vapour pressure at 25 °C: |
1.00 * 10-05Pa |
The linear regression of log p vs. 1/T gave a correlation coefficient r of -0.9989, showing good repeatability and precision. Therefore, the determination is considered as valid.
Positive Control
For Diethylphthalate the following vapour pressure was determined and compared with recommended value:
Results Positive Control
Vapour pressure (positive control) at 30 °C: |
1.60 * 10-1Pa |
Criterion for the vapour pressure of the positive control at 30 °C: |
0.44 * 10-1– 2.44 * 10-1Pa |
The vapour pressure met the validity criteria. Therefore, the study can be considered as valid.
Discussion
The vapour pressure of the test item Trixene AS was determined at six different temperatures (30, 45, 60, 75, 90 and 105 °C) according to OECD 104 resp. EU A.4 using the effusion method (weight loss). Experiment 1-2 and 6 (nominal temperature 30 – 45 and 105 °C) showed no reproducible weight loss. When visible contaminations, caused by explosive evaporation of the test item, were observed, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, these measurements were not used for calculations.
Three experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good reproducibility, giving relative standard deviations of less than 27% (limit value from the guideline 30%) and good correlation.
Therefore, the results of the test can be considered valid.
Description of key information
For the test item Trixene AS, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 4.36 x 10-06Pa
Vapour pressure at 25 °C: 1.00 x 10-05Pa
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
The vapour pressure of Trixene AS was determined according to OECD 104 resp. EU A.4 using the effusion method (weight loss).
Vapour pressure was examined at six different temperatures. Three temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (p).
Vapour Pressures (Effusion Method)
Experiment |
T |
Mean p |
Stand. Dev. p |
RSD p |
No. |
K |
Pa |
Pa |
% |
3 |
333.2 |
1.79E-03 |
4.53E-04 |
25.3% |
4 |
348.2 |
102E-02 |
2.72E-03 |
26.8% |
5 |
363.2 |
6.63E-02 |
1.45E-02 |
21.9% |
In this table, E-0X represents multiplication with 10-x.
Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation
The graph 1/T vs. log (p) shows a straight line with a correlation coefficient of - 0.9989.
For the test item Trixene AS, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 4.36 * 10-06Pa
Vapour pressure at 25 °C: 1.00 * 10-05Pa
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.