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Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 March - 25 April 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

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
Type of method:
effusion method: isothermal thermogravimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
METHYL (1R,2R,4S)-2-[HEX-5-EN-1-YL(METHYL)CARBAMOYL]-4-({7-METHOXY-8-METHYL-2-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]QUINOLIN-4-YL}OXY)CYCLOPENTANECARBOXYLATE
EC Number:
922-147-8
Cas Number:
1042695-87-3
Molecular formula:
C32H41N3O5S
IUPAC Name:
METHYL (1R,2R,4S)-2-[HEX-5-EN-1-YL(METHYL)CARBAMOYL]-4-({7-METHOXY-8-METHYL-2-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]QUINOLIN-4-YL}OXY)CYCLOPENTANECARBOXYLATE
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study reports): JNJ-39125593-AAA (T003019)
- Physical state: solid
- Appearance: white powder
Specific details on test material used for the study:
- Batch n°: M15FB2925
- Analytical purity: 99.5%
- Expiration date: 31 May 2017
- Storage condition: at room temperature protected from light

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 512159). 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= 1.14 log vT,20+ 4.55. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.14 and 4.55, respectively.

Results

Isothermal TGA analysis: in Experiment 1 no significant weight loss was observed at temperatures below melting point. Therefore a second and third test were conducted at temperatures above the melting point. 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= -5341 x 1/T + 11.06 (r = 0.8804, n = 8).

Because the correlation coefficient (r) was < 0.99, extrapolation to 20°C and 25°C is not reliable. As an alternative, the weight loss of the test item at 210°C, 220°C, 230°C and 240°C was compared with the weight loss of benzo(ghi)perylene at the same temperatures. The results obtained showed that the vapour pressure of the test item was lower than that of benzo(ghi)perylene.

The results for the vapour pressure of the test item at 20°C and 25°C are:

 Temperature (°C)  PT (Pa)  PT (mm Hg)
 20  < 1.3E-8  < 1.0E-10
 25  < 1.9E-8  < 1.4E-10

 

 

 

Applicant's summary and conclusion

Conclusions:
The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-39125593-AAA (T003019).
The vapour pressure of the test item was < 1.3E-8 Pa (or < 1.0E-10 mmHg) at 20°C (293K) and < 1.9E-8 Pa (or < 1.4E-10 mmHg) at 25°C (298K).