1-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 July - 01 October 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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

Specific details on test material used for the study:

- Batch n°: A14JB3422
- Analytical purity: 93.3%
- Expiration date: 30 September 2016
- Storage condition: at room temperature

Key result

Temp.:

20 °C

Vapour pressure:

<= 0.011 Pa

Remarks on result:

other: Might be overestimated.

Remarks:

The weight losses of the test item were obtained at temperatures above the melting temperature of the test item because no significant weight loss of the test item was observed below the melting temperature.

Key result

Temp.:

25 °C

Vapour pressure:

<= 0.017 Pa

Remarks on result:

other: Might be overestimated.

Remarks:

The weight losses of the test item were obtained at temperatures above the melting temperature of the test item because no significant weight loss of the test item was observed below the melting temperature.

Reference substances

Validation of the method is performed at least once every year (WIL project 508074). Each reference substance was measured in duplicate by TGA using a temperature program that was specific for the substance. Plots of log v_T obtained at elevated temperatures and 1/T were inter- or extrapolated to determine the log v_Tvalues at 20°C (log v_T,20). The log v_T,20values were plotted against the logarithm of the vapour pressure at 20°C in Pascal units (log P_T,20). Linear regression analysis using the least squares method yielded an equation of log P_T,20= 1.17 log v_T,20+ 4.66. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.17 and 4.66, respectively.

Results

Isothermal TGA analysis: from the plot of the log P_Tof the test item as a function of the reciprocal temperature the equation of the curve could be derived: log P_T= -3485 x 1/T + 9.93 (r = 0.995, n = 6). The results for the vapour pressure of the test item at 20°C and 25°C is:

Temperature (°C)	log PT	PT (Pa)	PT (mm Hg)
20	-1.96	1.1 E-2	8.2 E-5
25	-1.76	1.7 E-2	1.3 E-5

 

 

 

Conclusions:

The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-119717-AAA (T001036). The weight losses of the test item were obtained at temperatures above the melting temperature of the test item because no significant weight loss of the test item was observed below the melting temperature. According to this, the vapour pressure at 20°C (<= 0.011 Pa) and 25°C (<= 0.017 Pa) might be overestimated.

Description of key information

The vapour pressure of T001036 was assessed using the isothermal TGA effusion method, following the guidelines OECD Guideline 104, EU method A.4 and EPA OPPTS 830.7950 (Klimisch 1, WIL Research Europe, 2016). The vapour pressure of the substance was determined to be <= 0.011 Pa at 20°C and <= 0.017 Pa at 25°C. The weight losses of the test item were obtained at temperatures above the melting temperature of the test item because no significant weight loss of the test item was observed below the melting temperature. According to this, the vapour pressure at 20°C and 25°C might be overestimated.

Key value for chemical safety assessment

Vapour pressure:

0.017 Pa

at the temperature of:

25 °C