Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
29 June 2017 - 14 September 2017
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:
EU Method A.4 (Vapour Pressure)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
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:
2-chlorophenyl cyclopentyl ketone
EC Number:
229-802-0
EC Name:
2-chlorophenyl cyclopentyl ketone
Cas Number:
6740-85-8
Molecular formula:
C12H13ClO
IUPAC Name:
2-chlorophenyl cyclopentyl ketone
Test material form:
liquid
Details on test material:
- Name of test material (as cited in study reports): JNJ-54582034-AAA (T003642)
- Physical state: liquid
- Appearance: yellow liquid
Specific details on test material used for the study:
- Batch n°: I16KB4361
- Analytical purity: 98.4% (HPLC)
- Test item storage: In refrigerator (2-8°C), container flushed with argon
- Stable under storage conditions until: 19 Sep 2017 (retest date)

Results and discussion

Vapour pressureopen allclose all
Key result
Temp.:
20 °C
Vapour pressure:
0.14 Pa
Key result
Temp.:
25 °C
Vapour pressure:
0.26 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 vTobtained at elevated temperatures and 1/T were inter- or extrapolated to determine the log vTvalues at 20°C (log vT,20). Linear regression analysis using the least squares method yielded an equation of log PT,20= 1.26 x log vT,20+ 4.98. The coefficient of correlation (r) was > 0.99. The constantscanddspecific for the experimental arrangement were 1.26 and 4.98, respectively.

Results

Isothermal TGA analysis: from the plot of the log PTof the test item as a function of the reciprocal temperature the equation of the curve could be derived: log PT= -4531 x 1/T + 14.61 (r = 0.990, n = 8). The results for the vapour pressure of the test item at 20°C and 25°C are:

   Temperature (°C)   log PT   PT (Pa)   PT (mm Hg)
 20  -0.85 0.14  1.1 E-3 
 25  -0.59 0.26  1.9 E-3 

Applicant's summary and conclusion

Conclusions:
The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-54582034-AAA (T003642).

The vapour pressure of the test item is 0.14 Pa or 1.1 E-3 mm Hg at 20°C and 0.26 Pa or 1.9 E-3 mm Hg at 25°C.