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EC number: 811-886-0 | CAS number: 1361232-73-6
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-07-06 to 2018-10-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- 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:
- OECD Guideline 104 (Vapour Pressure Curve)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- GLP compliance:
- no
- Type of method:
- effusion method: isothermal thermogravimetry
Test material
- Reference substance name:
- 5-fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
- EC Number:
- 811-886-0
- Cas Number:
- 1361232-73-6
- Molecular formula:
- C14 H10 F2 N4 O
- IUPAC Name:
- 5-fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
- Test material form:
- solid
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
Any other information on results incl. tables
Results:
According to ibacon Study No. 127211180, the melting range of the test item is 169.8 °C to 171.1 °C. The evaluation of the vapour pressure was done with the reproducible weight loss values above ≥ 1 µg/min in the temperature range between 130 °C to 160 °C (below the melting range).
The plot of log VT of the test item as function of the reciprocal temperatures was determined. The coefficient of correlation (R2) was 0.9995.
The regression line of log PT as a function of log VT used for calibration was determined The coefficient of correlation (R2) was 0.9825. The resulting equation was:
log P_T = 4.3781+1.0022 ∙ log V_T
Inserting the equation for log VT above, the following equation for the temperature dependence of the vapour pressure of the test item is obtained:
logP_T = C+D∙(a∙1000/T +b)= C+(D∙b)+〗(D∙a∙1000 )/T
(where: a = -6.7879, b =13.0401, C = 4.3781 and D = 1.0022)
With this equation, a following vapour pressure results were obtained: 1.69 x 10^-6 Pa at 20 °C.
Results / Conclusion:
The isothermal thermogravimetric effusion method was applied for the determination of the vapour pressure of Fluorpyridoamid.
A value of the vapour pressure of the test item was determined using the data obtained between 130 °C and 160 °C. The vapour pressure of the test item was calculated (mean of three determinations) to: 1.69 x 10-6 Pa at 20 °C.
Applicant's summary and conclusion
- Conclusions:
- The isothermal thermogravimetric effusion method was applied for the determination of the vapour pressure of Fluorpyridoamid. A value of the vapour pressure of the test item was determined using the data obtained between 130 °C and 160 °C. The vapour pressure of the test item was calculated (mean of three determinations) to: 1.69 x 10^-6 Pa at 20 °C.
- Executive summary:
Title:
Fluorpyridoamid: Determination of the Vapour Pressure by Isothermal Thermogravimetry
Purpose:
The purpose of the study was to determine the vapour pressure of the test item using the isothermal thermogravimetric effusion method. The evaporation rates of the test item at elevated temperatures and ambient pressure were determined by monitoring the weight loss over the time.
Guidelines/Recommendations
This study was based on the procedures indicated by the following internationally accepted methods:
-European Community (EC), EC No. 761/2009, Part A: Methods for the Determination of Physico-Chemical Properties, Guideline A.4: “Vapour Pressure”, Official Journal of the European Union No. L220, August 24, 2009
-Organisation for Economic Co-operation and Development (OECD), OECD Guidelines for the Testing of Chemicals No. 104: “Vapour Pressure”, March 23, 2006
Results / Conclusion:
The isothermal thermogravimetric effusion method was applied for the determination of the vapour pressure of Fluorpyridoamid. A value of the vapour pressure of the test item was determined using the data obtained between 130 °C and 160 °C. The vapour pressure of the test item was calculated (mean of three determinations) to: 1.69 x 10^-6 Pa at 20 °C.
This study is classified acceptable and satisfies the guideline requirements for vapour pressure studies.
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