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EC number: 261-879-6 | CAS number: 59719-67-4
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:
- 2012-09-20 to 2013-02-16
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- dated 30 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- adopted 23 Mar 2006
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7950 (Vapor Pressure)
- Version / remarks:
- dated August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: by loss of weight or by trapping vaporisate
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: The value was calculated from the regression equation.
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.001 Pa
- Remarks on result:
- other: The value was calculated from the regression equation.
- Conclusions:
- The vapour pressure of Incozol 4 was determined to be 0.000496 Pa at 20 °C and 0.000828 Pa at 25 °C, respectively.
- Executive summary:
A study was conducted to determine the vapour pressure of Incozol 4 according to OECD TG 104 and Regulation (EC) No 440/2008 method A.4. Using the effusion method (weight loss) the vapour pressure of the test item Incozol 4 was determined at three different temperatures (30, 45 and 60 °C). All temperatures were evaluated as they showed reproducible weight loss. Thus, the result of the test can be considered valid. For these temperatures, 1/T was plotted against log (P). The graph 1/T vs. log (P) showed a straight line with a correlation coefficient of – 1.0000. The vapour pressures at 20 °C and at 25 °C were calculated from the regression equation. The vapour pressure was calculated to be 0.000496 Pa at 20 °C and 0.000828 Pa at 25 °C, respectively.
Reference
Calculation of results
The vapour pressure was calculated using the following equation:
p=(m/KAt)*sqrt(2πRT/M)
with:
Parameter |
Explanation |
Source/Value |
p |
vapour pressure in Pa |
to be calculated |
m |
weight loss in kg |
value is divided by 1000 |
t |
time in s |
as given in tables |
A |
area of aperture in m2 |
3.14 * 10-6 m2 |
K |
correction factor |
0.952 |
R |
universal gas constant in J/Mol*K |
8.314472 |
T |
temperature in K |
as given in tables |
M |
molecular weight in kg/Mol |
0.48664524 |
The correction factor is depending on the relation length/radius of the aperture of the Knudsen cell
Relation |
0.1 |
0.2 |
0.4 |
0.5 |
0.6 |
0.8 |
1.0 |
K |
0.952 |
0.909 |
0.834 |
0.801 |
0.771 |
0.718 |
0.672 |
With the chosen length of the aperture 0.1 mm and the chosen radius 1 mm, a relation of 0.1 was calculated, and a correction factor of 0.952 was chosen.
Calculation Results
Calculation Results Experiment 1
Experiment |
1 |
|
|
|
|
|
|
|
|
|||
Real Temperature in K |
303.2 |
|
|
|
|
|
|
|
|
|||
Real Temperature in °C |
30.0 |
|
|
|
|
|
|
|
|
|||
Date of Measurement |
08.Feb.2013 09:05 |
09.Feb.2013 10:25 |
10.Feb.2013 13:35 |
|||||||||
Elapsed Time in s |
74100 |
89100 |
96000 |
|||||||||
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 |
0.00194 |
yes |
1.58E-03 |
0.00190 |
yes |
1.29E-03 |
0.00187 |
yes |
1.18E-03 |
|||
Knudsen-cell 2 |
0.00193 |
yes |
1.57E-03 |
0.00190 |
yes |
1.29E-03 |
0.00199 |
yes |
1.25E-03 |
|||
Knudsen-cell 3 |
0.00197 |
yes |
1.60E-03 |
0.00193 |
yes |
1.31E-03 |
0.00183 |
yes |
1.15E-03 |
|||
Knudsen-cell 4 |
0.00192 |
yes |
1.56E-03 |
0.00196 |
yes |
1.33E-03 |
0.00205 |
yes |
1.29E-03 |
|||
Mean |
|
yes |
1.58E-03 |
|
yes |
1.30E-03 |
|
yes |
1.22E-03 |
|||
Standard deviation: |
|
|
1.76E-05 |
|
|
1.94E-05 |
|
|
6.44E-05 |
|||
Mean of measured values: |
|
1.366E-03 |
|
|
|
|
|
|
||||
Standard deviation: |
|
1.900E-04 |
RSD: |
13.9 % |
|
|
|
|
||||
Calculation Results Experiment 2
Experiment |
2 |
|
|
|
|
|
|
|
|
|
Real Temperature in K |
318.2 |
|
|
|
|
|
|
|
|
|
Real Temperature in °C |
45.0 |
|
|
|
|
|
|
|
|
|
Date of Measurement |
11.Feb.2013 10:25 |
12.Feb.2013 14:25 |
13.Feb.2013 10:55 |
|||||||
Elapsed Time in s |
72900 |
96900 |
71400 |
|||||||
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 |
0.00614 |
yes |
5.20E-03 |
0.00680 |
yes |
4.34E-03 |
0.00495 |
yes |
4.28E-03 |
|
Knudsen-cell 2 |
0.00770 |
yes |
6.53E-03 |
0.00845 |
yes |
5.39E-03 |
0.00572 |
yes |
4.95E-03 |
|
Knudsen-cell 3 |
0.00758 |
yes |
6.43E-03 |
0.00842 |
yes |
5.37E-03 |
0.00574 |
yes |
4.97E-03 |
|
Knudsen-cell 4 |
0.00844 |
yes |
7.15E-03 |
0.00905 |
yes |
5.77E-03 |
0.00620 |
yes |
5.37E-03 |
|
Mean |
|
yes |
6.33E-03 |
|
yes |
5.22E-03 |
|
yes |
4.89E-03 |
|
Standard deviation: |
|
|
8.15E-04 |
|
|
6.15E-04 |
|
|
4.48E-04 |
|
Mean of measured values: |
|
5.479E-03 |
|
|
|
|
|
|
||
Standard deviation: |
|
7.530E-04 |
RSD: |
13.7 % |
|
|
|
|
||
Calculation Results Experiment 3
Experiment |
3 |
|
|
|
|
|
|
|
|
Real Temperature in K |
333.2 |
|
|
|
|
|
|
|
|
Real Temperature in °C |
60.0 |
|
|
|
|
|
|
|
|
Date of Measurement |
14.Feb.2013 12:40 |
15.Feb.2013 10:30 |
16.Feb.2013 08:52 |
||||||
Elapsed Time in s |
90300 |
75900 |
78120 |
||||||
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 |
0.02603 |
yes |
1.82E-02 |
0.02434 |
yes |
2.03E-02 |
0.02500 |
yes |
2.02E-02 |
Knudsen-cell 2 |
0.02552 |
yes |
1.79E-02 |
0.02491 |
yes |
2.08E-02 |
0.02443 |
yes |
1.98E-02 |
Knudsen-cell 3 |
0.02597 |
yes |
1.82E-02 |
0.02411 |
yes |
2.01E-02 |
0.02510 |
yes |
2.03E-02 |
Knudsen-cell 4 |
0.02669 |
yes |
1.87E-02 |
0.02317 |
yes |
1.93E-02 |
0.02431 |
yes |
1.97E-02 |
Mean |
|
yes |
1.82E-02 |
|
yes |
2.01E-02 |
|
yes |
2.00E-02 |
Standard deviation: |
|
|
3.38E-04 |
|
|
6.04E-04 |
|
|
3.22E-04 |
Mean of measured values: |
|
1.945E-02 |
|
|
|
|
|
|
|
Standard deviation: |
|
1.046E-03 |
RSD: |
5.4 % |
|
|
|
|
|
The measured values for temperature and vapour pressure were evaluated as follows:
Evaluation of Calculated Values
Parameter |
T |
P |
1/T |
log P |
Unit |
K |
Pa |
1/K |
log Pa |
Values |
303.2 |
1.37E-03 |
3.2982E-03 |
-2.8647 |
318.2 |
5.48E-03 |
3.1427E-03 |
-2.2613 |
|
333.2 |
1.95E-02 |
3.0012E-03 |
-1.7111 |
Parameters of Linear Regression
Parameter |
Value |
Slope |
-3884.8 |
Intercept |
9.9478 |
Correlation Coefficient r |
-1.0000 |
Coefficient of Determination r2 |
1.0000 |
The following vapour pressures were determined experimentally and considered as valid
Experimentally Determined Vapour Pressures
T |
T |
P |
Stand. Dev. P |
RSD P |
°C |
K |
Pa |
Pa |
% |
30.0 |
303.2 |
1.37E-03 |
1.90E-04 |
13.9% |
45.0 |
318.2 |
5.48E-03 |
7.53E-04 |
13.7% |
60.0 |
333.2 |
1.95E-02 |
1.05E-03 |
5.4% |
Description of key information
The vapour pressure of Incozol 4 was determined to be 0.000496 Pa at 20 °C and 0.000828 Pa at 25 °C, respectively.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 20 °C
Additional information
A study was conducted to determine the vapour pressure of Incozol 4 according to OECD TG 104 and Regulation (EC) No 440/2008 method A.4. Using the effusion method (weight loss) the vapour pressure of the test item Incozol 4 was determined at three different temperatures (30, 45 and 60 °C). All temperatures were evaluated as they showed reproducible weight loss. Thus, the result of the test can be considered valid. For these temperatures, 1/T was plotted against log (P). The graph 1/T vs. log (P) showed a straight line with a correlation coefficient of – 1.0000. The vapour pressures at 20 °C and at 25 °C were calculated from the regression equation. The vapour pressure was calculated to be 0.000496 Pa at 20 °C and 0.000828 Pa at 25 °C, respectively. No observations were made which might cause doubts on the validity of the study outcome. Therefore, the result of the study is considered valid.
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