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EC number: - | CAS number: -
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30 AUG 2022 TO 05 OCT 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- November 2019
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- July 2006
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: isothermal thermogravimetry
Test material
- Reference substance name:
- 1-amino-N-[6-cyano-5-(trifluoromethyl)-3- pyridyl]cyclobutanecarboxamide
- Cas Number:
- 1950587-17-3
- Molecular formula:
- C12H11F3N4O
- IUPAC Name:
- 1-amino-N-[6-cyano-5-(trifluoromethyl)-3- pyridyl]cyclobutanecarboxamide
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material: JNJ-63632283-AAA (T003665)
- Physical state: solid (powder)
- Appearance: white powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- lot/batch number of test material: 22BN0551
- Expiry date: 28 April 2023 (retest date)
- Physical Description: Off-white powder
- Purity: 98.3%
- Purity correction factor: no correction factor required
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
Results and discussion
Vapour pressureopen allclose all
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- <= 0 Pa
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- <= 0 Pa
Any other information on results incl. tables
Reference substances
Validation of the method is performed at least once every year (Test Facility Reference No. 20391642).
Each reference substance was measured in duplicate by TGA using a temperature program that was specific for the substance. Plots of log vT obtained at elevated temperatures and 1/T were inter- or extrapolated to determine the log vT values at 20°C (log vT,20). The log vT values were plotted against the logarithm of the vapour pressure at 20°C in Pascal units (log PT, 20). Linear regression analysis using the least squares method yielded an equation of log PT,20 = 1.11 x log vT,20 + 4.67. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.11 and 4.67, respectively.
Results
The results of the isothermal TGA analysis for the test material are give in the table below
Results of the Vapour pressure Isothermal TGA Analysis
Temperature | Experiment | Weight loss | νT | log νT | log PT | PT |
140 | 1 | 4.57595 | 5.46 x 10-4 | - 3.26 | 1.04 | 11 |
| 3 | 5.25667 | 6.27 x 10-4 | - 3.20 | 1.11 | 13 |
150 | 1 | 8.36994 | 9.99 x 10-4 | - 3.00 | 1.33 | 21 |
| 3 | 8.98980 | 1.07 x 10-3 | - 2.97 | 1.36 | 23 |
160 | 1 | 15.2278 | 1.82 x 10-3 | - 2.74 | 1.62 | 42 |
| 3 | 15.9459 | 1.90 x 10-3 | - 2.72 | 1.64 | 44 |
170 | 1 | 28.9490 | 3.46 x 10-3 | - 2.46 | 1.93 | 85 |
| 3 | 29.4707 | 3.52 x 10-3 | - 2.45 | 1.94 | 87 |
The equation of the curve of the log PT of the test material as function of the reciprocal temperatures was: log PT = -5254 x 1/T + 13.77 (r = 0.997, n = 8). The results of the vapour pressure at 20°C and 25°C are given in the table below:
Vapour Pressure of the Test Material
Temperature | log PT | PT |
20 | - 4.15 | 7.1 x 10-5 |
25 | - 3.85 | 1.4 x 10-4 |
Applicant's summary and conclusion
- Conclusions:
- The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-63632283-AAA (T003665). The weight losses of the test material had to be determined at temperatures above the melting temperature of the test material. According to this, the vapour pressure of the test material (which was, according to the method, extrapolated to 20°C and 25°C) could be slightly overestimated and is reported as less than or equal to values.
The vapour pressure of the test material at 20°C and 25°C were ≤ 7.1E-05 Pa and ≤ 1.4E-04 Pa
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