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EC number: 807-621-3 | CAS number: 1428450-95-6
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 Jan - 18 Feb 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Landesamt Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany
- Type of method:
- effusion method: by loss of weight or by trapping vaporisate
Test material
- Reference substance name:
- N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
- EC Number:
- 807-621-3
- Cas Number:
- 1428450-95-6
- Molecular formula:
- C13H14N2O3S
- IUPAC Name:
- N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
Vapour pressureopen allclose all
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
Any other information on results incl. tables
Upon inspection of the cells at the end of the experiment, it was observed that the test item had not changed in appearance.
The following vapour pressures were determined experimentally and considered as valid (mean and standard deviation given):
Parameter |
T /°C |
T /K |
P /Pa |
1/T /1/K |
log P /log Pa |
Stand. Dev. P /Pa |
RSD P /% |
Values |
120.0 |
393.2 |
5.45E-04 |
2.5432E-03 |
-3.2638 |
8.17E-05 |
15.0% |
135.0 |
408.2 |
2.93E-03 |
2.4498E-03 |
-2.5336 |
2.55E-04 |
8.7% |
|
150.0 |
423.2 |
7.93E-03 |
2.3629E-03 |
-2.1008 |
4.30E-05 |
0.5% |
For the test item N-[4-(2.4-dihydroxyphenyl)thiazol-2-yl]isobutyramide, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Slope |
-6468.1 |
Intercept |
13.2269 |
Correlation Coefficient r |
-0.9922 |
Coefficient of Determination r2 |
0.9844 |
Vapour pressure at 20 °C: 1.46 * 10-9 Pa
Vapour pressure at 25 °C: 3.41 * 10-9 Pa
The linear regression of log P vs. 1/T gave a correlation coefficient r of - 0.9922 showing good repeatability and precision. Therefore, the determination is considered as valid.
The vapour pressure of the test item KCCS DOB11 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 - 6 (nominal temperatures 30, 45, 60, 75, 90 and
105 °C) showed no relevant and/or reproducible weight loss. Therefore, these experiments were not included in the evaluation. All evaluated experiments showed good reproducibility, giving relative standard deviations ≤ 15%, and good correlation. Therefore, the result of the test can be considered valid.
Slope |
-6468.1 |
Intercept |
13.2269 |
Correlation Coefficient r |
-0.9922 |
Coefficient of Determination r2 |
0.9844 |
All calculation results are given in the tables below and on the following pages. In all tables, E-03 represents multiplication with 10-3.
Calculation Results Experiment 7 at 120 °C
Experiment |
7 |
|
|
|
|
|
|
|
|
Real Temperature in K |
393.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
120.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
07.02.2014 13:05 |
08.02.2014 10:40 |
09.02.2014 11:50 |
||||||
Elapsed Time in s |
96300 |
75000 |
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 |
0.00055 |
yes |
5.19E-04 |
0.00049 |
yes |
5.93E-04 |
0.00063 |
yes |
6.42E-04 |
Knudsen-cell 2 |
0.00040 |
yes |
3.77E-04 |
0.00055 |
yes |
6.66E-04 |
0.00032 |
yes |
3.26E-04 |
Knudsen-cell 3 |
0.00040 |
yes |
3.77E-04 |
0.00049 |
yes |
5.93E-04 |
0.00045 |
yes |
4.59E-04 |
Knudsen-cell 4 |
0.00063 |
yes |
5.94E-04 |
0.00055 |
yes |
6.66E-04 |
0.00071 |
yes |
7.24E-04 |
Mean |
|
yes |
4.67E-04 |
|
yes |
6.30E-04 |
|
yes |
5.38E-04 |
Standard deviation: |
|
|
1.08E-04 |
|
|
4.20E-05 |
|
|
1.79E-04 |
Mean of measured values: |
|
5.448E-04 |
|
|
|
|
|
|
|
Standard deviation: |
|
8.167E-05 |
RSD: |
15.0% |
|
|
|
|
|
Calculation Results Experiment 8 at 135 °C
Experiment |
8 |
|
|
|
|
|
|
|
|
Real Temperature in K |
408.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
135.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
10.02.2014 13:20 |
11.02.2014 13:00 |
12.02.2014 14:00 |
||||||
Elapsed Time in s |
90000 |
82920 |
88200 |
||||||
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 |
0.00311 |
yes |
3.20E-03 |
0.00250 |
yes |
2.79E-03 |
0.00277 |
yes |
2.91E-03 |
Knudsen-cell 2 |
0.00256 |
yes |
2.63E-03 |
0.00206 |
yes |
2.30E-03 |
0.00199 |
yes |
2.09E-03 |
Knudsen-cell 3 |
0.00262 |
yes |
2.69E-03 |
0.00234 |
yes |
2.61E-03 |
0.00225 |
yes |
2.36E-03 |
Knudsen-cell 4 |
0.00424 |
yes |
4.36E-03 |
0.00304 |
yes |
3.39E-03 |
0.00361 |
yes |
3.79E-03 |
Mean |
|
yes |
3.22E-03 |
|
yes |
2.77E-03 |
|
yes |
2.79E-03 |
Standard deviation: |
|
|
8.00E-04 |
|
|
4.60E-04 |
|
|
7.50E-04 |
Mean of measured values: |
|
2.927E-03 |
|
|
|
|
|
|
|
Standard deviation: |
|
2.550E-04 |
RSD: |
8.7% |
|
|
|
|
|
Calculation Results Experiment 9 at 150 °C
Experiment |
9 |
|
|
|
|
|
|
|
|
Real Temperature in K |
423.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
150.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
13.02.2014 14:20 |
14.02.2014 13:10 |
18.02.2014 15:15 |
||||||
Elapsed Time in s |
85680 |
80400 |
86100 |
||||||
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 |
0.00748 |
yes |
8.23E-03 |
0.00717 |
yes |
8.40E-03 |
0.00734 |
yes |
8.03E-03 |
Knudsen-cell 2 |
0.00623 |
yes |
6.85E-03 |
0.00553 |
yes |
6.48E-03 |
0.00606 |
yes |
6.63E-03 |
Knudsen-cell 3 |
0.00631 |
yes |
6.94E-03 |
0.00586 |
yes |
6.87E-03 |
0.00640 |
yes |
7.00E-03 |
Knudsen-cell 4 |
0.00868 |
yes |
9.55E-03 |
0.00847 |
yes |
9.93E-03 |
0.00935 |
yes |
1.02E-02 |
Mean |
|
yes |
7.89E-03 |
|
yes |
7.92E-03 |
|
yes |
7.98E-03 |
Standard deviation: |
|
|
1.27E-03 |
|
|
1.57E-03 |
|
|
1.62E-03 |
Mean of measured values: |
|
7.929E-03 |
|
|
|
|
|
|
|
Standard deviation: |
|
4.302E-05 |
RSD: |
0.5% |
|
|
|
|
|
Applicant's summary and conclusion
- Conclusions:
- NDHPTMPA has a vapour pressure of 1.46E-9 hPa at 20°C
- Executive summary:
NDHPTMPA has a vapour pressure of 1.46E-9 hPa at 20°C
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