Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-01-31 to 2017-05-12
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7950 (Vapor Pressure)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: isothermal thermogravimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(butan-2-yl)-4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
EC Number:
607-685-0
Cas Number:
252964-68-4
Molecular formula:
C23H29N5O2
IUPAC Name:
1-(butan-2-yl)-4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study report): JNJ-7982559-AAA (T001329)
- Physical state: solid (powder)
- Appearance: Grey-brown powder
Specific details on test material used for the study:
- Batch n°: I14IB3639
- Analytical purity: 97.9% (based on HPLC)
- Expiration date: 2020-09-17
- Storage condition: 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 (project 517972). 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 vTvalues at 20°C (log vT,20). The log vT,20 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= 1.26 log vT,20+ 4.98. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.26 and 4.98, respectively.

Results

Isothermal TGA analysis: from the plot of the log PT of the test item as a function of the reciprocal temperature the equation of the curve could be derived: log PT= -7391 x 1/T + 15.57 (r = 0.993, n = 8). The results for the calculated vapour pressure of the test item at 20°C and 25°C are:

 Temperature (°C)  log PT  PT (Pa)  PT (mm Hg)
 20  -9.64  2.3x10^-10  1.7x10^-12
 25  -9.22  6.0x10^-10  4.5x10^-12

 

 

 

Applicant's summary and conclusion

Conclusions:
The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-7982559-AAA (T001329).
The vapour pressure of the test item was <1.3E-8 Pa (or <1.0E-10 mmHg) at 20°C (293K) and <3.9E-8 Pa (or <3.0E-10 mmHg) at 25°C (298K).