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EC number: 632-673-7 | CAS number: 26033-20-5
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23 Nov 2020 to 15 Jan 2021
- 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:
- 2016 March 04
- 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:
- 3-phenyl-1H-pyrazole-4-carbaldehyde
- EC Number:
- 632-673-7
- Cas Number:
- 26033-20-5
- Molecular formula:
- C10H8N2O
- IUPAC Name:
- 3-phenyl-1H-pyrazole-4-carbaldehyde
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Batch (Lot) Number: M19LD3723
- Purity/Composition: 103.6%
- Purity/Composition correction factor: 1.0
- Purity test date : 2020-05-04
- Expiry date: 11 November 2021 (retest date)
- Physical Description: Light yellow powder
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
Results and discussion
Vapour pressureopen allclose all
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- < 0.002 Pa
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- < 0.004 Pa
Transition / decomposition
- Transition / decomposition:
- yes
- Remarks:
- Non linear weight loss was observed in the range of 200°C – 230°C, indicating reaction and/or decomposition of the test item.
- Transition temp.:
- > 200 - < 230 °C
Any other information on results incl. tables
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 ´ 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 | Corresponding PT values | Literature | ||
[Pa] | [mm Hg] | [Pa] | [mm Hg] | ||
Benzo(ghi)perylene | 1.33 ´ 10-8 | 1.00 ´ 10-10 | 3.06 ´ 10-8 # | 2.30 ´ 10-10 # | 1 |
Chrysene | 8.40 ´ 10-7 | 6.30 ´ 10-9 | 1.53 ´ 10-6 # | 1.15 ´ 10-8 # | 2 |
Hexachlorobenzene | 1.47 ´ 10-3 | 1.10 ´ 10-5 | 4.25 ´ 10-3 # | 3.19 ´ 10-5 # | 1 |
Naphthalene | 7.56 ´ 100 | 5.67 ´ 10-2 | 1.15 ´ 101 | 8.61 ´ 10-2 | 3 |
Water | 2.34 ´ 103 | 1.75 ´ 101 | 3.17 ´ 103 | 2.38 ´ 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
Non linear weight loss was observed in the range of 200°C – 230°C, indicating reaction and/or decomposition of the test item. Therefore, no reliable vapour pressure could be determined. The weight losses of the test item were compared with the weight losses of hexachlorobenzene. 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 hexachlorobenzene. The corresponding values are given in the table below.
Temperature | Weight loss | νT | log νT | log PT | PT |
100 | 0.366686 | 4.38 ´ 10-5 | -4.36 | -0.37 | 0.43 |
| 0.178528 | 2.13 ´ 10-5 | -4.67 | -0.73 | 0.18 |
110 | 0.623772 | 7.45 ´ 10-5 | -4.13 | -0.10 | 0.80 |
| 0.472659 | 5.64 ´ 10-5 | -4.25 | -0.24 | 0.58 |
120 | 1.41808 | 1.69 ´ 10-4 | -3.77 | 0.32 | 2.1 |
| 1.18754 | 1.42 ´ 10-4 | -3.85 | 0.23 | 1.7 |
130 | 2.93849 | 3.51 ´ 10-4 | -3.45 | 0.69 | 4.9 |
| 3.43588 | 4.10 ´ 10-4 | -3.39 | 0.77 | 5.9 |
Vapour pressure of the Test Item
| 20°C | 25°C | ||
| [Pa] | [mm Hg] | [Pa] | [mm Hg] |
Test item | < 1.5 ´ 10-3 | < 1.1 ´ 10-5 | < 4.3 ´ 10-3 | < 3.2 ´ 10-5 |
Applicant's summary and conclusion
- Conclusions:
- The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-39125190-AAA (T003897).
The vapour pressure of the test item at 20°C (293K) and 25°C (298K) was: < 1.5E-3 Pa or <1.1E-5 mmHg at 20 C, and <4.3E-3 Pa or <3.2E-5 mmHg at 25 C
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