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EC number: 277-531-1 | CAS number: 73545-11-6
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:
- 07 Nov - 06 Dec 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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: Knudsen cell
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Sponsor / 1702-18-01/O
- Expiration date of the lot/batch: 25. Mar. 2021
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room Temperature (20 ± 5 °C); Keep away from light
- Stability under test conditions:
H2O: unknown; Ethanol: unknown; acetone; unknown; CH3CN: unknown; DMSO: unknown
- Solubility and stability of the test substance in the solvent/vehicle:
H2O: < 0.1 g/L; Ethanol: unknown; acetone: > 1 g/L; CH3CN: unknown; DMSO: unknown - Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.002 Pa
- Conclusions:
- The vapour pressure of the test item 7-(4-ethyl-1-methyloctyl)quinolin-8-ol was deter-mined 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). When visible contaminations, caused by explosive evaporation of the test item, were observed, the cells were meticu-lously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, these measurements were not used for calculations.
Six experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good repeatability, giving relative standard devia-tions of less than 28 % (limit value from the guideline 30 %) and good correlation.
The vapour pressure at 20°C was determined to be 0.00206 Pa. - Executive summary:
Title of Study: Determination of the Vapour Pressure of 7-(4-ethyl-1-methyloctyl)quinolin-8-ol according to OECD 104 resp. EU A.4 using the effusion method: Knudsen Cell.
Findings and Results:
The vapour pressure of 7-(4-ethyl-1-methyloctyl)quinolin-8-ol was determined according to OECD 104 resp. EU A.4 using the effusion method (weight loss).
Vapour pressure was examined at six different temperatures. SIx 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
%
1
303.2
6.50E-03
1.81E-03
27.9%
2
318.2
1.95E-02
1.82E-03
9.3%
3
333.2
3.68E-02
7.22E-03
19.6%
4
348.2
1.19E-01
6.23E-03
5.2%
5
363.2
4.47E-01
5.72E-02
12.8%
6
378.2
1.28E+00
1.35E-01
10.5%
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 - 0.9900.
For the test item 7-(4-ethyl-1-methyloctyl)quinolin-8-ol, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 2.06* 10-03Pa
Vapour pressure at 25 °C: 3.26* 10-03Pa
Reference
Observations
30°C.
At the third measurement of experiment 1, all cells were slightly contaminated. Therefore, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, this measurement was not used for calculations.
45°C.
At the first measurement of experiment 2, all cells were slightly contaminated. Therefore, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, this measurement was not used for calculations.
60°C.
At the second measurement of experiment 3, all cells were slightly contaminated. Therefore, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, this measurement was not used for calculations.
90°C.
At the third measurement of experiment 5, all cells were slightly contaminated. Therefore, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, this measurement was not used for calculations.
Calculation results
All calculation results are given in the tables below and on the following pages.
In all tables, E-0X represents multiplication with 10-Xand E+0X represents multiplication with 10X
Calculation Results Experiment 1
Experiment |
1 |
|
|
|
|
|
|
|
|
||
Real Temperature in K |
303.2 |
|
|
|
|
|
|
|
|
||
Real Temperature in °C |
30.0 |
|
|
|
|
|
|
|
|
||
Date of Measurement |
07.11.2018 11:00 |
08.11.2018 10:50 |
09.11.2018 10:00 |
||||||||
Elapsed Time in s |
84600 |
83100 |
81000 |
||||||||
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 |
0.00233 |
yes |
8.88E-03 |
0.00132 |
yes |
5.12E-03 |
0.00016 |
yes |
6.37E-04 |
||
Knudsen-cell 2 |
0.00212 |
yes |
8.08E-03 |
0.00130 |
yes |
5.04E-03 |
0.00032 |
yes |
1.27E-03 |
||
Knudsen-cell 3 |
0.00213 |
yes |
8.12E-03 |
0.00147 |
yes |
5.70E-03 |
0.00039 |
yes |
1.55E-03 |
||
Knudsen-cell 4 |
0.00159 |
yes |
6.06E-03 |
0.00129 |
yes |
5.00E-03 |
0.00047 |
yes |
1.87E-03 |
||
Mean |
|
yes |
7.78E-03 |
|
yes |
5.22E-03 |
|
no |
|
||
Standard deviation: |
|
|
1.21E-03 |
|
|
3.27E-04 |
|
|
|
||
Mean of measured values: |
|
6.501E-03 |
|
|
|
|
|
|
|||
Standard deviation: |
|
1.814E-03 |
RSD: |
27.9% |
|
|
|
|
|||
If “no” is stated in the respective column: measurement was not considered for the calculation of the mean.
Calculation Results Experiment 2
Experiment |
2 |
|
|
|
|
|
|
|
|
||
Real Temperature in K |
318.2 |
|
|
|
|
|
|
|
|
||
Real Temperature in °C |
45.0 |
|
|
|
|
|
|
|
|
||
Date of Measurement |
13.11.2018 10:10 |
14.11.2018 10:20 |
15.11.2018 11:10 |
||||||||
Elapsed Time in s |
86100 |
83100 |
87300 |
||||||||
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 |
0.00458 |
yes |
1.76E-02 |
0.00595 |
yes |
2.36E-02 |
0.00576 |
yes |
2.18E-02 |
||
Knudsen-cell 2 |
0.00847 |
yes |
3.25E-02 |
0.00503 |
yes |
2.00E-02 |
0.00393 |
yes |
1.49E-02 |
||
Knudsen-cell 3 |
0.00802 |
yes |
3.08E-02 |
0.00523 |
yes |
2.08E-02 |
0.00495 |
yes |
1.87E-02 |
||
Knudsen-cell 4 |
0.00738 |
yes |
2.83E-02 |
0.00466 |
yes |
1.85E-02 |
0.00457 |
yes |
1.73E-02 |
||
Mean |
|
no |
|
|
yes |
2.07E-02 |
|
yes |
1.82E-02 |
||
Standard deviation: |
|
|
|
|
|
2.16E-03 |
|
|
2.89E-03 |
||
Mean of measured values: |
|
1.945E-02 |
|
|
|
|
|
|
|||
Standard deviation: |
|
1.816E-03 |
RSD: |
9.3% |
|
|
|
|
|||
If “no” is stated in the respective column: measurement was not considered for the calculation of the mean. See also chapter 8.3
Calculation Results Experiment 3
Experiment |
3 |
|
|
|
|
|
|
|
|
||
Real Temperature in K |
333.2 |
|
|
|
|
|
|
|
|
||
Real Temperature in °C |
60.0 |
|
|
|
|
|
|
|
|
||
Date of Measurement |
16.11.2018 09:40 |
20.11.2018 11:05 |
21.11.2018 12:40 |
||||||||
Elapsed Time in s |
78000 |
78900 |
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 |
0.01086 |
yes |
4.71E-02 |
0.00725 |
yes |
3.11E-02 |
0.00903 |
yes |
3.43E-02 |
||
Knudsen-cell 2 |
0.00867 |
yes |
3.76E-02 |
0.00630 |
yes |
2.70E-02 |
0.00751 |
yes |
2.85E-02 |
||
Knudsen-cell 3 |
0.01015 |
yes |
4.40E-02 |
0.00663 |
yes |
2.84E-02 |
0.00823 |
yes |
3.12E-02 |
||
Knudsen-cell 4 |
0.00899 |
yes |
3.90E-02 |
0.00677 |
yes |
2.90E-02 |
0.00864 |
yes |
3.28E-02 |
||
Mean |
|
yes |
4.19E-02 |
|
no |
|
|
yes |
3.17E-02 |
||
Standard deviation: |
|
|
4.41E-03 |
|
|
|
|
|
2.46E-03 |
||
Mean of measured values: |
|
3.678E-02 |
|
|
|
|
|
|
|||
Standard deviation: |
|
7.217E-03 |
RSD: |
19.6% |
|
|
|
|
|||
If “no” is stated in the respective column: measurement was not considered for the calculation of the mean. See also chapter 8.3
Calculation Results Experiment 4
Experiment |
4 |
|
|
|
|
|
|
|
|
||
Real Temperature in K |
348.2 |
|
|
|
|
|
|
|
|
||
Real Temperature in °C |
75.0 |
|
|
|
|
|
|
|
|
||
Date of Measurement |
22.11.2018 12:55 |
23.11.2018 11:00 |
27.11.2018 11:00 |
||||||||
Elapsed Time in s |
84900 |
76800 |
84600 |
||||||||
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 |
0.02898 |
yes |
1.18E-01 |
0.02842 |
yes |
1.28E-01 |
0.03490 |
yes |
1.43E-01 |
||
Knudsen-cell 2 |
0.03005 |
yes |
1.22E-01 |
0.02671 |
yes |
1.20E-01 |
0.03675 |
yes |
1.50E-01 |
||
Knudsen-cell 3 |
0.02388 |
yes |
9.72E-02 |
0.02446 |
yes |
1.10E-01 |
0.02241 |
yes |
9.15E-02 |
||
Knudsen-cell 4 |
0.02829 |
yes |
1.15E-01 |
0.02646 |
yes |
1.19E-01 |
0.02896 |
yes |
1.18E-01 |
||
Mean |
|
yes |
1.13E-01 |
|
yes |
1.19E-01 |
|
yes |
1.26E-01 |
||
Standard deviation: |
|
|
1.10E-02 |
|
|
7.30E-03 |
|
|
2.65E-02 |
||
Mean of measured values: |
|
1.193E-01 |
|
|
|
|
|
|
|||
Standard deviation: |
|
6.235E-03 |
RSD: |
|
5.2% |
|
|
|
|||
Calculation Results Experiment 5
Experiment |
5 |
|
|
|
|
|
|
|
|
||
Real Temperature in K |
363.2 |
|
|
|
|
|
|
|
|
||
Real Temperature in °C |
90.0 |
|
|
|
|
|
|
|
|
||
Date of Measurement |
28.11.2018 12:50 |
29.11.2018 11:05 |
30.11.2018 11:05 |
||||||||
Elapsed Time in s |
88800 |
76500 |
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 |
0.13095 |
yes |
5.20E-01 |
0.08992 |
yes |
4.15E-01 |
0.10423 |
yes |
4.38E-01 |
||
Knudsen-cell 2 |
0.13397 |
yes |
5.32E-01 |
0.09941 |
yes |
4.59E-01 |
0.10575 |
yes |
4.44E-01 |
||
Knudsen-cell 3 |
0.09841 |
yes |
3.91E-01 |
0.06751 |
yes |
3.11E-01 |
0.05333 |
yes |
2.24E-01 |
||
Knudsen-cell 4 |
0.12779 |
yes |
5.08E-01 |
0.09610 |
yes |
4.43E-01 |
0.09993 |
yes |
4.20E-01 |
||
Mean |
|
yes |
4.88E-01 |
|
yes |
4.07E-01 |
|
no |
|
||
Standard deviation: |
|
|
6.53E-02 |
|
|
6.63E-02 |
|
|
|
||
Mean of measured values: |
|
4.474E-01 |
|
|
|
|
|
|
|||
Standard deviation: |
|
5.720E-02 |
RSD: |
|
12.8% |
|
|
|
|||
If “no” is stated in the respective column: measurement was not considered for the calculation of the mean. See also chapter 8.3
Calculation Results Experiment 6
Experiment |
6 |
|
|
|
|
|
||
Real Temperature in K |
378.2 |
|
|
|
|
|
||
Real Temperature in °C |
105.0 |
|
|
|
|
|
||
Date of Measurement |
04.12.2018 11:00 |
05.12.2018 12:50 |
||||||
Elapsed Time in s |
87900 |
90300 |
||||||
Parameter |
Weight loss |
to be used |
Vapour pressure |
Weight loss |
to be used |
Vapour pressure |
||
Unit |
g |
yes/no |
Pa |
g |
yes/no |
Pa |
||
Knudsen-cell 1 |
0.34980 |
yes |
1.43E+00 |
0.39471 |
yes |
1.57E+00 |
||
Knudsen-cell 2 |
0.30468 |
yes |
1.25E+00 |
0.35034 |
yes |
1.40E+00 |
||
Knudsen-cell 3 |
0.22303 |
yes |
9.14E-01 |
0.32358 |
yes |
1.29E+00 |
||
Knudsen-cell 4 |
0.28370 |
yes |
1.16E+00 |
0.31629 |
yes |
1.26E+00 |
||
Mean |
|
yes |
1.19E+00 |
|
yes |
1.38E+00 |
||
Standard deviation: |
|
|
2.16E-01 |
|
|
1.41E-01 |
||
Mean of measured values: |
|
1.285E+00 |
|
|
|
|||
Standard deviation: |
|
1.353E-01 |
RSD: |
|
10.5%
|
|||
At the third measurement of experiment 6 all cells were empty. As enough relevant values were determined, the test was stopped.
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 |
6.50E-03 |
1.81E-03 |
3.2982E-03 |
-2.1870 |
1.95E-02 |
1.82E-03 |
3.1427E-03 |
-1.7110 |
|
3.68E-02 |
7.22E-03 |
3.0012E-03 |
-1.4343 |
|
1.19E-01 |
6.23E-03 |
2.8719E-03 |
-0.9232 |
|
4.47E-01 |
5.72E-02 |
2.7533E-03 |
-0.3493 |
|
1.28E+00 |
1.35E-01 |
2.6441E-03 |
0.1089 |
In this tableE-0X represents multiplication with 10-Xand E+0X represents multiplication with 10X.
A graph with log p vs. 1/T was plotted. Since the values were correlated by a linear relation, the data could be fitted by linear regression.
Parameters of Linear Regression
Parameter |
Value |
Slope |
-3490.7 |
Intercept |
9.2215 |
Correlation Coefficient r |
-0.9900 |
Coefficient of Determination r2 |
0.9801 |
Results
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 |
% |
30.0 |
303.2 |
6.50E-03 |
1.81E-03 |
27.9% |
45.0 |
318.2 |
1.95E-02 |
1.82E-03 |
9.3% |
60.0 |
333.2 |
3.68E-02 |
7.22E-03 |
19.6% |
75.0 |
348.2 |
1.19E-01 |
6.23E-03 |
5.2% |
90.0 |
363.2 |
4.47E-01 |
5.72E-02 |
12.8% |
105.0 |
378.2 |
1.28E+00 |
1.35E-01 |
10.5% |
In this table,E-0X represents multiplication with 10-Xand E+0X represents multiplication with 10X.
Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation
For the test item7-(4-ethyl-1-methyloctyl)quinolin-8-ol, 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: |
2.06* 10-03Pa |
Vapour pressure at 25°C: |
3.26* 10-03Pa |
The linear regression of log p vs. 1/T gave a correlation coefficient r of - 0.9900, 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: |
1.91*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.
Description of key information
A key study is performed in accordance with the OECD guideline 104 under the conditions of GLP.
Key value for chemical safety assessment
- Vapour pressure:
- 0.002 Pa
- at the temperature of:
- 20 °C
Additional information
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.
