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EC number: 451-620-7 | CAS number: 352230-22-9
The vapour pressure of the test item was measured at temperatures of 25°C, 35°C and 45°C. The experimental parameters of the vapour pressure determination are summarised in Table 1. The results and the amount of nitrogen used to calculate the vapour pressure of the individual experiments are summarised in Table 2. The tabulated values represent rounded results that were obtained by calculation using the exact raw data. To ensure saturation control, three different flow rates were used at each temperature. From Tables 1 and 2, it can be clearly seen that higher flow rates did not lead to lower vapour pressures which means that the nitrogen was saturated with the test item under the conditions of the test.
The trapping efficiency of the test item in the first cooling trap was very good. 100% of the test item was trapped in the first cooling trap. The trapping efficiency results are summarised in Tables 3, 4 and 5.
Figure 1 (attached) shows the vapour pressure curve of the test item. The extrapolation data are given in Table 6. A typical chromatogram of a standard calibration solution is given in Figure 2 (attached). An example of a sample solution chromatogram from the experiment at 25°C is shown in Figure 3 (attached). An example of the calibration data for the test item-standards is given in Figure 4 (attached) and Table 7. The r2 fit was 0.9997 (optimum 1.0000). This reflects the linearity of the HPLC system within the calibration range of 0.942 µg/mL to 112.98 µg/mL of the test item.
The good reproducibility and the high trapping efficiency led to the conclusion that the results of the vapour pressure determination of the test item are reliable.
In conclusion, the vapour pressure of the test item was determined to be 0.068 Pa at 25°C, 0.26 Pa at 35°C and 0.64 Pa at 45°C.
The calculation of the vapour pressure of the test item at 25°C by extrapolation based upon the simplified Clausius-Clapeyron equation resulted in a vapour pressure of 0.072 Pa at 25°C which is in very good agreement with the vapour pressure directly measured at 25°C.
Table 1: Experimental parameters used for the gas saturation method of the test item
Flow rate [mln/min]
Collecting time [min]
Table 2: Results of the vapour pressure determination of the test item
Amount of test item in trap 1 [µg]
Amount of test item in trap 2 [µg]
Total amount of test item [µg]
Vapour pressure [Pa]
Average vapour pressure [Pa]
*corrected volume at test temperature
Table 3: Trapping efficiency of test item at 45°C
Saturator column No.
Amount of test item in 1st trap [µg]
Amount of test item in 2nd trap [µg]
Trapping efficiency of 1st trap [%]
Table 4: Trapping efficiency of test item at 35°C
Table 5: Trapping efficiency of test item at 25°C
Table 6: Data of the vapour pressure curve of the test item
The tabulated results represent rounded values obtained by calculations based on the exact raw data.
Y = b*x + a
Y = ln (Pvpmean ln Pa)
x = 1/T [K]
b = -10656 (slope)
a = 33.115 (y-axis intercept)
calculated vapour pressure of the test item at 25°C is 0.072 Pa
Table 7: The calibration data of the test item
Vapour pressure [whole substance]: 0.068 Pa at 25°C, 0.26 Pa at 35°C and 0.64 Pa at 45°C (OECD 104)
Vapour pressure [Constituent 1]: 3.6E-03 Pa at 25°C (QSAR)
Vapour pressure [Constituent 2]: 1.3E-07 Pa at 25°C (QSAR)
A measured vapour pressure of 0.068 Pa at 25°C, 0.26 Pa at 35°C and 0.64 Pa at 45°C were determined for the submission substance as a whole substance using the gas saturation method in accordance with OECD Test Guideline 104 and in compliance with GLP. The result is considered to be reliable.
The submission substance is a multi-constituent substance containing two main constituents, measured vapour pressure for the whole substance is preferred for the purpose of human health exposure assessment while for the purposes of environmental hazard and fate assessment; vapour pressures of the constituents have been predicted using a validated QSAR estimation method. Vapour pressure values of 3.6E-03 Pa at 25°C and 1.3E-07 Pa at 25°C for Constituent 1 and Constituent 2 respectively.
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