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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:
2016-08-17 to 2016-10-16
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
performed compliant with GLP
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
adopted March 2006
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: Knudsen cell
Specific details on test material used for the study:
Test item: Trinonyl benzene-1,2,4-tricarboxylate
Batch No.: 50000071656
Identity: Trinonyltrimellitat
Molecular weight: 588.86 g/mol
Purity: 99.8 % (ester content)
Physical state: Clear colourless liquid
Storage conditions: Ambient temperature (10 °C to 30 °C)
Expiry date: August 2017
Certificate: Certificate of analysis dated August 08, 2016, OXEA GmbH, 46147 Oberhausen, Germany
Key result
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
0 Pa
Remarks on result:
other: extrapolated from experimental data
Test no.:
#2
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: extrapolated from experimental data
Test no.:
#3
Temp.:
50 °C
Vapour pressure:
0 Pa
Remarks on result:
other: extrapolated from experimental data
Key result
Transition / decomposition:
no

A first measurement showed an unusual behaviour which could have been caused by volatile impurities. Therefore the measurement was repeated with a degassing at 80 °C for 10 hours. The vapour pressure was measured in the temperature range of 90 °C to 125 °C. The derived vapour pressures at the corresponding temperatures are listed in the following table.

Measured vapour pressures and corresponding temperatures:

Temperature / °C

Vapour pressure / hPa

90

3.8 × 10-6

95

5.3 × 10-6

100

8.5 × 10-6

105

1.4 × 10-5

110

2.1 × 10-5

115

2.8 × 10-5

120

4.3 × 10-5

125

9.3 × 10-5

The data points measured from 90 °C to 100 °C were not included in the linear regression because they were under the detection limit of 1E-05 hPa.

The values for 20, 25 and 50 °C are calculated, using the Antoine constants A, B and C as shown in the table below:

Antoine parameters and extrapolated vapour pressures

T / °C

p / hPa

log (p/hPa) = A + B/(C+T[°C])

20

3.4×10-10

A =

10.85407

25

7.5×10-10

B =

-5957.43

50

2.6×10-8

C =

273.15

Conclusions:
Vapour pressure (OECD 104 / EU-method A.4): 3.4E-08 Pa at 20°C (extrapolated)
Executive summary:

The vapour pressure of the submission substance was determined according to EU method A.4 and OECD guideline 104 (2006) compliant with GLP. The effusion method (Knudsen cell): vapour pressure balance was applied. Due to a detection limit of 1E-05 hPa of the method, experimental data above 100 °C, only could be used for the extrapolation of the vapour pressure at 20°C by regression analysis using Antoine parameters.

Results for vapour pressure:

3.4E-08 Pa at 20°C;

7.5E-08 Pa at 25°C;

2.6E-06 Pa at 50°C.

Description of key information

 Vapour pressure (OECD 104 / EU-method A.4): 3.4E-08 Pa at 20°C (extrapolated)

Key value for chemical safety assessment

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

Additional information

The vapour pressure of the submission substance was determined according to EU method A.4 and OECD guideline 104 (2006) compliant with GLP. The effusion method: vapour pressure balance was applied. Due to a detection limit of 1E-05 hPa of the method, experimental data above 100 °C, only, could be used for the extrapolation of the vapour pressure at 20°C by regression analysis using Antoine parameters.

Results for vapour pressure:

3.4E-08 Pa at 20°C;

7.5E-08 Pa at 25°C;

2.6E-06 Pa at 50°C.

Within the supporting study, QSAR was applied for estimation of vapour pressure of the submission substance, with the following result:

Vapour pressure (QSAR: MPBPVPWIN v1.43; Sept 2010): 1.22E-08 Pa (Modified Grain Method) at 25°C.

This result is very similar to the experimentally derived value of 7.5E-08 Pa at 25°C and thus in support of the key study.