5-bromo-1,3-dichloro-2-fluorobenzene

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

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

GLP compliance:

yes (incl. QA statement)

Type of method:

gas saturation method

Key result

Test no.:

#1

Temp.:

30 °C

Vapour pressure:

24.4 Pa

Remarks on result:

other: Saturator column flow rate at 30 mL/min

Key result

Test no.:

#2

Temp.:

30 °C

Vapour pressure:

24.4 Pa

Remarks on result:

other: Saturator column flow rate at 40 mL/min

Key result

Test no.:

#3

Temp.:

30 °C

Vapour pressure:

23.8 Pa

Remarks on result:

other: Saturator column flow rate at 50 mL/min

Key result

Test no.:

#4

Temp.:

40 °C

Vapour pressure:

51.5 Pa

Remarks on result:

other: Saturator column flow rate at 30 mL/min

Key result

Test no.:

#5

Temp.:

40 °C

Vapour pressure:

51.1 Pa

Remarks on result:

other: Saturator column flow rate at 40 mL/min

Key result

Test no.:

#6

Temp.:

40 °C

Vapour pressure:

53 Pa

Remarks on result:

other: Saturator column flow rate at 50 mL/min

Key result

Test no.:

#7

Temp.:

50 °C

Vapour pressure:

108 Pa

Remarks on result:

other: Saturator column flow rate at 30 mL/min

Key result

Test no.:

#8

Temp.:

50 °C

Vapour pressure:

109 Pa

Remarks on result:

other: Saturator column flow rate at 40 mL/min

Key result

Test no.:

#9

Temp.:

50 °C

Vapour pressure:

112 Pa

Remarks on result:

other: Saturator column flow rate at 50 mL/min

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 10 to 200 mg/L. This was satisfactory with a first order correlation coefficient of 0.9997 being obtained and the following equation for the correlation:

y = 7.4603 x 105 x + 1.6072 x 106

where:

y = peak area

x = concentration (mg/L)

To confirm specificity of the analytical method, aliquots of a standard solution and a sample solution were analyzed using a diode array detector (DAD) to record the ultraviolet spectrum of the analyte peak used for quantification. The spectra generated were consistent between the standard and sample solution.

Calculation of the final reported vapor pressure values have been performed from unrounded values, whereas individual intermediate values, such as areas, concentrations and masses presented in the tables have been rounded for the purpose of report generation. Therefore, minor discrepancies may be obtained if attempting to repeat the calculation process using reported data values presented to a reduced number of significant figures.

The comparison of the masses of test item collected in the first trap and the second for each flow rate, at each test temperature, indicated a trap collection efficiency of ≥99.94%. Therefore, two traps in series would theoretically give a condensation recovery of >99.999%.

Based on the known melting temperature of the test item (22.2 °C (295.3 K), the extrapolated experimental vapor pressure result at 20.0 °C represents the subcooled liquid state of the test item. Calculation of the vapor pressure of the solid phase of the test item at 20.0 °C (293K), using an experimentally derived value of the latent heat of fusion resulted in a value of 9.6 Pa.

Table 1: Actual test nitrogen flow rates

Test temperature	Nitrogen flow rate (mL/minute)
	Saturator A	Saturator B	Saturator C
30 °C	31.5	40.5	53.5
40 °C	31.0	40.0	51.5
50 °C	31.5	40.7	51.4

Table 2: Analysis mean peak areas

Solution	Mean Peak Area
Standard at 99.5 mg/L	7.7402 x 10^7
Standard at 100 mg/L	7.7468 x 10^7
Matrix blank	None detected
30 °C test, saturator A, trap 1	6.9091 x 10^7
30 °C test, saturator A, trap 2	2.6179 x 10^4
30 °C test, saturator B, trap 1	8.8941 x 10^7
30 °C test, saturator B, trap 2	6.1039 x 10^4
30 °C test, saturator C, trap 1	1.1453 x 10^8
30 °C test, saturator C, trap 2	1.2965 x 10^5
Standard at 103 mg/L	8.4497 x 10^7
Standard at 101 mg/L	8.2770 x 10^7
Matrix blank	None detected
40 °C test, saturator A, trap 1	1.0081 x 10^8
40 °C test, saturator A, trap 2	6.9623 x 10^4
40 °C test, saturator B, trap 1	1.2922 x 10^8
40 °C test, saturator B, trap 2	9.1722 x 10^4
40 °C test, saturator C, trap 2	3.2040 x 10^5
Standard at 103 mg/L	8.0505 x 10^7
Standard at 101 mg/L	7.8971 x 10^7
Matrix blank	None detected
40 °C test, saturator C, trap 1	8.2222 x 10^7
Standard at 42.7 mg/L	3.5269 x 10^7
Standard at 45.4 mg/L	3.7638 x 10^7
Matrix blank	None detected
50 °C test, saturator A, trap 1	1.8204 x 10^7
50 °C test, saturator A, trap 2	8.0826 x 10^4
50 °C test, saturator B, trap 1	2.3606 x 10^7
50 °C test, saturator B, trap 2	7.0824 x 10^4
50 °C test, saturator C, trap 1	3.0616 x 10^7
50 °C test, saturator C, trap 2	9.5788 x 10^4

Table 3: Masses of test item condensed

Temperature (°C)	Saturator column flow rate (mL/min)	Concentration of sample solution (mg/L)	Mass of test item vaporised (µg)	Total mass of test item vaporised (µg)
30	30 – trap 1	89.0	1.483 x 10^4	1.484 x 10^4
	30 – trap 2	3.4 x 10^-2	1.7
	40 – trap 1	115	1.910 x 10^4	1.910 x 10^4
	40 – trap 2	7.9 x 10^-2	3.9
	50 – trap 1	148	2.459 x 10^4	2.460 x 10^4
	50 – trap 2	0.167	8.4
40	30 – trap 1	123	2.056 x 10^4	2.057 x 10^4
	30 – trap 2	8.5 x 10^-2	4.3
	40 – trap 1	158	2.636 x 10^4	2.636 x 10^4
	40 – trap 2	0.112	5.6
	50 – trap 1	106	3.518 x 10^4	3.520 x 10^4
	50 – trap 2	0.392	19.6
50	30 – trap 1	22.0	2.199 x 10^4	2.200 x 10^4
	30 – trap 2	9.8 x 10^-2	4.9
	40 – trap 1	28.5	2.852 x 10^4	2.853 x 10^4
	40 – trap 2	8.6 x 10^-2	4.3
	50 – trap 1	37.0	3.699 x 10^4	3.700 x 10^4
	50 – trap 2	0.116	5.8

Table 4: Linearity mean peak areas

Solution	Mean Peak Area
Matrix blank	None detected
Standard at 10.2 mg/L	8.2335 x 10^6
Standard at 20.3 mg/L	1.6386 x 10^7
Standard at 50.9 mg/L	4.0120 x 10^7
Standard at 80.3 mg/L	6.0492 x 10^7
Standard at 81.4 mg/L	6.3668 x 10^7
Standard at 122 mg/L	9.4231 x 10^7
Standard at 203 mg/L	1.5219 x 10^8

Conclusions:

The vapour pressure of the substance is 10 Pa at 20 °C and 16 Pa at 25 °C.

Executive summary:

The vapour pressure of the substance was determined in accordance with OECD TG 104 under GLP.

For each of the three saturator columns, approximately 250 mg of the test item was weighed into a round bottomed flask that contained approximately 20 g of 2 mm diameter glass beads. The test item was then vigorously mixed with the glass beads on a vortex mixer. A glass wool plug was placed at the outlet of each saturator column, the coated glass beads were loaded into the saturator columns and a second glass wool plug was placed at the inlet of each saturator column.

The saturator columns were then connected to the nitrogen supply and a stream of nitrogen was passed through the saturator columns, at three different flow rates (nominal 30, 40 and 50 mL/minute) to ensure saturation control. Actual gas flow rates for each test were determined. The saturator columns were encased in a glass jacket containing water, and the test temperature maintained using a thermostatically controlled circulating waterbath. Two condensation tubes, cooled in an ethylene glycol/water mixture at approximately -20 °C, were connected in series to the outlet of each of the three saturator columns.

Three tests were performed at temperatures of 30.0, 40.0 and 50.0 °C, using gas flow times of 180, 120 and 60 minutes respectively, prior to assessing the mass of test item vaporized over this time period. After completing each test, the condensation tubes were disconnected from the saturator columns and the amount of transferred test item in each of the tubes determined analytically.

The vapor pressure of the liquid phase test item was determined to be 10 Pa at 20.0 °C (293K) and 16 Pa at 25.0 °C (298 K).

Based on the known melting temperature of the test item (22.2 °C (295.3 K), the above value represents the subcooled liquid state of the test item at 20.0 °C. Using an experimentally derived value of the latent heat of fusion, the vapor pressure of the solid phase of the test item was calculated to be 9.6 Pa at 20.0 °C (293K).

Description of key information

The vapour pressure of the substance has been determined reliably in a study using a gas saturation method under GLP in accordance with OECD TG 104.

Key value for chemical safety assessment

Vapour pressure:

16 Pa

at the temperature of:

25 °C