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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
GLP compliance:
yes
Type of method:
effusion method: isothermal thermogravimetry
Specific details on test material used for the study:
Identification: Esacure 3644
Physical Description: Light yellow solid
Purity/Composition: UVCB
Storage Conditions: At room temperature protected from light
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
< 0 Pa
Test no.:
#2
Temp.:
25 °C
Vapour pressure:
< 0 Pa

In the range of 200°C to 230°C a log p versus 1/T curve for the test item could not be determined since the coefficient of correlation (r) was < 0.99 for the combined curve of the two measurements and the single curve of the second measurement (data is archived in the raw data).

Since no accurate vapour pressure could be calculated from the obtained results, the weight losses were compared with the results of benzo(ghi)perylene at the same temperatures.  Since the weight loss of the test item was lower than the weight loss of the reference compound the vapour pressure of the test item is considered to be lower than that of benzo(ghi)perylene.

Temperature Weight loss νT log νT log PT PT
[°C] [µg/min] [g/cm2/h] [Pa]
200 0.279983 3.34 x 10-5 -4.48 -0.61 0.25
0.246872 2.95 x 10-5 -4.53 -0.68 0.21
210 0.476494 5.69 x 10-5 -4.25 -0.31 0.48
0.446262 5.33 x 10-5 -4.27 -0.35 0.45
220 0.890377 1.06 x 10-4 -3.97 0.03 1.1
0.601729 7.18 x 10-5 -4.14 -0.19 0.65
230 1.71063 2.04 x 10-4 -3.69 0.39 2.4
1.4574 1.74 x 10-4 -3.76 0.3 2

Vapour pressure of the Test Item

20°C 25°C
[Pa] [mm Hg] [Pa] [mm Hg]
Test item < 1.3 x 10-8 < 1.0 x 10-10 < 5.5 x 10-8 < 4.1 x 10-10

Reference Substances

Validation of the method is performed at least once every year (Test Facility Project 20167632).

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 vT values at 20°C (log vT,20).  The log vT 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 = 1.27 x log vT,20 + 5.06.  The coefficient of correlation (r) was > 0.99.  The constants c and d specific for the experimental arrangement were 1.27 and 5.06, respectively.

Reference Substances

Reference substance Reference PT values
20°C
Corresponding PT values
25°C
Literature
[Pa] [mm Hg] [Pa] [mm Hg]
Benzo(ghi)perylene 1.33 x 10 -8

1.00 x 10 -10

 5.49x 10 -8 #  4.12 x 10-10 # 1
Chrysene 8.40x x 10-7 6.30 x 10-9  7.96 x 10-7 #  5.98 x 10-9 # 2
Hexachlorobenzene 1.47 x 10-3 1.10 x 10-5  4.14 x 10-3 #  3.11 x 10-5 # 1
Naphthalene 7.56 x 100 5.67 x 10-2 1.15 x 101 8.61 x 10-2 3
Water 2.34 x 103 1.75 x 101 3.17 x 103 2.38 x 101 3

#       Determined by the vapour pressure regression curve of the validation study. No literature value was available.

1       Verschueren, K., Handbook of environmental data on organic chemicals, 4th edition, Wiley Chemistry.

2       Borges, H.T., Formal toxicity summary for Chrysene, The Risk Assessment Information System (RAIS), 1994.

3       Lide, D.R., CRC Handbook of Chemistry and Physics, 79th edition, CRC Press LLC., Boca Raton, FL, USA, 1998.

Conclusions:
The isothermal TGA effusion method was applied for the determination of the vapour pressure of Esacure 3644.
No significant weight loss of the test item was observed below the melting temperature of the test item (i.e. a relatively low vapour pressure was obtained). The vapour pressure of the test item was therefore determined using the data obtained above the melting point of the test item. No accurate vapour pressure could be calculated from the obtained results, the weight losses were compared with the results of benzo(ghi)perylene at the same temperatures. Since the weight loss of the test item was lower than the weight loss of the reference compound the vapour pressure of the test item is considered to be lower than that of benzo(ghi)perylene.
The vapour pressure of the test item at 20°C (293K) and 25°C (298K) was:

20 °C : < 1.3 x 10-8 Pa 25 °C : < 5.5 x 10-8 Pa
Executive summary:

The vapour pressure of the test item at 20°C (293K) and 25°C (298K) was:

20 °C : < 1.3 x 10-8 Pa       25 °C : < 5.5 x 10-8 Pa

Description of key information

Study conducted to recognised testing guidelines with GLP certification

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
20 °C

Additional information