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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:
- 2021-02-01 to 2021-07-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- March 04, 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- March 23, 2006
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: isothermal thermogravimetry
Test material
- Reference substance name:
- 1-[2-[2-methoxy-4-(morpholin-4-yl)-5-nitroanilino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-4-carbaldehyde
- Cas Number:
- 1903010-39-8
- Molecular formula:
- C25H23N7O5
- IUPAC Name:
- 1-[2-[2-methoxy-4-(morpholin-4-yl)-5-nitroanilino]pyrimidin-4-yl]-3-phenyl-1H-pyrazole-4-carbaldehyde
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Physical state: solid
- Appearance: orange powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Batch (Lot) Number: I20ED2016
- Purity/Composition: 101.5%
- Purity test date : 2020-05-27
- Expiry date: 2022-06-06 (retest date)
- Physical Description: Orange powder
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability and homogeneity of the test material in the vehicle/solvent under test conditions and during storage: not indicated
- Stability in the medium, i.e. sensitivity of the test material to hydrolysis and/or photolysis: not indicated
- Solubility and stability of the test material in the solvent/vehicle and the exposure medium: not indicated
- Reactivity of the test material with the incubation material used (e.g. plastic ware): not indicated
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
No treatment
OTHER SPECIFICS
- Purity/Composition correction factor: Yes, correction factor is 1.0
Results and discussion
Vapour pressureopen allclose all
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
Transition / decomposition
- Transition / decomposition:
- no
- Remarks:
- No significant weight loss was observed during the experiments. Reaction and/or decomposition was observed at 230°C, observed with non-linear weight loss. Therefore, no reliable vapour pressure could be determined.
- Transition temp.:
- 230 °C
Any other information on results incl. tables
Reference Substances
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 = 1.17 x log vT,20 + 4.75. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.17 and 4.75, respectively.
Reference substance | Reference PT values 20°C | Corresponding PT values 25°C | Literature | ||
[Pa] | [Hg] | [Pa] | [Hg] | ||
Benzo(ghi)perylene | 1.33 x 10-8 | 1.00 x 10-10 | 3.06 x 10-8# | 2.30 x 10-10# | 1 |
Chrysene | 8.40 x 10-7 | 6.30 x 10-9 | 1.53 x 10-6# | 1.15 x 10-8# | 2 |
Hexachlorobenzene | 1.47 x 10-3 | 1.10 x 10-5 | 4.25 x 10-3# | 3.19 x 10-5# | 1 |
Naphthalene | 7.56 x 100 | 7.56 x 10-2 | 1.15 x 101 | 8.61 x 10-2 | 3 |
Water | 2.34 x 103 | 1.75 x 101 | 3.17 x 103 | 1.38 x 101 | 3 |
# Determined by the vapour pressure regression curve of the validation study. No literature value was
available.
1 Verschueren, K., Handbook of environmental data on organic chemicals, 4th edition, Wiley Chemistry.
2 Borges, H.T., Formal toxicity summary for Chrysene, The Risk Assessment Information System (RAIS), 1994.
3 Lide, D.R., CRC Handbook of Chemistry and Physics, 79th edition, CRC Press LLC., Boca Raton, FL,
USA, 1998.
Results
No significant weight loss was observed during the experiments. Reaction and/or decomposition was observed at 230°C, observed with non-linear weight loss. Therefore, no reliable vapour pressure could be determined. The weight losses of the test item were compared with the weight losses of benzo(ghi)perylene in the temperature range of 200°C – 230°C. The weight loss curve of this reference substance is shown in Figure 6. Since the weight loss of the test item was lower than the weight loss of the reference compound, the vapour pressure of the test item is considered to be lower than that of benzo(ghi)perylene.
The results of the isothermal TGA analysis for the test item are given below.
| Temperature [°C] | Weight loss [µg/min] | νT [g/cm2/h] | log νT | log PT | PT[Pa] |
| 200 | 0.0310961 | 3.71 x 10-6 | -5.43 | -1.62 | 2.4 x 10-2 |
| 0.048829 | 5.83 x 10-6 | -5.23 | -1.39 | 4.0 x 10-2 | |
| 210 | 0.0603852 | 7.21 x 10-6 | -5.14 | -1.29 | 5.2 x 10-2 |
| 0.0938357 | 1.12 x 10-7 | -4.95 | -1.06 | 8.7 x 10-2 | |
| 220 | -0.00940172 | -1.12 x 10-6 | n.d. | n.d. | n.d |
| 0.131755 | 1.57 x 10-5 | -4.8 | -0.89 | 0.13 | |
| 230 | 0.204528 | 2.44 x 10-5 | -4.61 | -0.66 | 0.22 |
| 0.45243 | 5.40 x 10-5 | -4.27 | -0.26 | 0.55 |
Vapour pressure of the test item
| 20°C | 25°C | ||
[Pa] | [Hg] | [Pa] | [Hg] | |
Test item | <1.33 x 10-8 | 1.00 x 10-10 | <3.1 x 10-8 | <2.30 x 10-10 |
Applicant's summary and conclusion
- Conclusions:
- The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-73848255-AAA (T003902). The vapour pressure of the test item at 20°C (293K) and 25°C (298K) was:
< 1.3 E-8 Pa or < 1.0 E-10 mmHg at 20°C, and
< 3.1 E-8 Pa or < 3.1 E-10 mmHg at 25°C
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