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EC number: 947-727-8 | CAS number: 568591-00-4
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24 Jan - 26 Jan 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- 2006
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Italian Ministry of Health, Rome, Italy
- Type of method:
- effusion method: Knudsen cell
Test material
- Reference substance name:
- Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile
- EC Number:
- 947-727-8
- Cas Number:
- 568591-00-4
- Molecular formula:
- C9H13N3
- IUPAC Name:
- Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile
Constituent 1
- Specific details on test material used for the study:
- The test item was stored at room temperature in the dark.
Results and discussion
Vapour pressure
- Temp.:
- 20 °C
- Vapour pressure:
- 0.091 Pa
- Remarks on result:
- other: estimated result
Any other information on results incl. tables
The result of the thermogravimetric analysis for test item and the vapour pressure at 20 °C are given below in Table 1.
The test has been conducted in duplicate (Test A and Test B).
Data in the tables are rounded values taken from Excel spreadsheets which are archived together with the raw data. The use of Excel spreadsheets for calculations produces more accurate endpoints. These endpoints may slightly differ from the values derived by replacing the rounded values in the formulae given in the methods section.
Since the analysis was conducted under high vacuum conditions, the heat could be transferred only by radiation, this caused a consistent difference between the furnace temperature and the sample one and a considerable time for the system to reach equilibrium.
The temperatures reported (registered by the thermocouple under the Knudsen cell) are hence different from the one set and the mass loss has been measured only in 80 minutes time interval within each isotherm, after the system had reached equilibrium.
Table 1: Vapour pressure
Temperature [°C] |
Δm [mg] |
Δt [min] |
Temperature [K] |
27.8 |
0.1344 |
80 |
300.95 |
28.2 |
0.1430 |
80 |
301.35 |
33.8 |
0.2211 |
80 |
306.95 |
34.6 |
0.2254 |
80 |
307.75 |
40.0 |
0.3941 |
80 |
313.15 |
41.1 |
0.3969 |
80 |
314.25 |
46.3 |
0.6653 |
80 |
319.45 |
47.5 |
0.6758 |
80 |
320.65 |
53.1 |
1.1200 |
80 |
326.25 |
54.3 |
1.1305 |
80 |
327.45 |
63.4 |
1.9077 |
80 |
336.55 |
65.1 |
1.8793 |
80 |
338.25 |
70.6 |
3.7372 |
80 |
343.75 |
72.3 |
3.7268 |
80 |
345.45 |
78.6 |
7.2791 |
80 |
351.75 |
78.9 |
7.2062 |
80 |
352.05 |
85.4 |
14.2029 |
80 |
358.55 |
86.9 |
14.0743 |
80 |
360.05 |
Table 1 (continued)
1/Temperature [1/K] |
Δm/Δt [kg/s] |
Vapour pressure [Pa] |
log p |
3.32E-03 |
2.80E-11 |
2.08E-01 |
-0.6821 |
3.32E-03 |
2.98E-11 |
2.21E-01 |
-0.6549 |
3.26E-03 |
4.61E-11 |
3.45E-01 |
-0.4616 |
3.25E-03 |
4.70E-11 |
3.53E-01 |
-0.4527 |
3.19E-03 |
8.21E-11 |
6.22E-01 |
-0.2063 |
3.18E-03 |
8.27E-11 |
6.27E-01 |
-0.2024 |
3.13E-03 |
1.39E-10 |
1.06E+00 |
0.0255 |
3.12E-03 |
1.41E-10 |
1.08E+00 |
0.0331 |
3.07E-03 |
2.33E-10 |
1.80E+00 |
0.2562 |
3.05E-03 |
2.36E-10 |
1.82E+00 |
0.2611 |
2.97E-03 |
3.97E-10 |
3.12E+00 |
0.4943 |
2.96E-03 |
3.92E-10 |
3.08E+00 |
0.4889 |
2.91E-03 |
7.79E-10 |
6.18E+00 |
0.7909 |
2.89E-03 |
7.76E-10 |
6.18E+00 |
0.7908 |
2.84E-03 |
1.52E-09 |
1.22E+01 |
1.0854 |
2.84E-03 |
1.50E-09 |
1.21E+01 |
1.0813 |
2.79E-03 |
2.96E-09 |
2.40E+01 |
1.3799 |
2.78E-03 |
2.93E-09 |
2.38E+01 |
1.3769 |
y = mx + q |
Parameter m (slope) |
Parameter q (intercept) |
Parameter R2 (correlation) |
-3692 |
12 |
0.99174 |
|
Extrapolation at 20 °C |
1/Temperature [1/K] |
log p |
Vapour pressure [Pa] |
0.00341 |
-1.0387 |
9.15E-02 |
Applicant's summary and conclusion
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