Trinonyl benzene-1,2,4-tricarboxylate

Vapour pressure

Link to relevant study record(s)

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.