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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar (eco)toxicological properties because
• they share structural similarities with common functional groups: One quaternised ethanolamine moiety, one to three, mainly two ester groups with a typical UVCB distribution with long-chain fatty acids of natural origin. The molecular structure is almost identical.
• they are manufactured from similar resp. identical precursors (triethanolamine, long-chain fatty acids, dimethyl sulphate) under similar conditions. Therefore, common breakdown products via physical and biological processes, which result in structurally similar chemicals are evident
• A constant pattern in the changing of the potency of the properties across the TEA-Esterquats by chain-length and the grade of esterification is not observed, because the fatty acid chain-length distribution is too narrow and similar and the distribution of mono-, di-, and tri-esters is identical. Some variation caused by variation in C=C double bonds may occur and will be discussed at the relevant endpoint.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See justification for read-across attached to chapter 13 of this IUCLID file.

3. ANALOGUE APPROACH JUSTIFICATION
See justification for read-across attached to chapter 13 of this IUCLID file.

4. DATA MATRIX
See justification for read-across attached to chapter 13 of this IUCLID file.
Reason / purpose for cross-reference:
read-across: supporting information
Reason / purpose for cross-reference:
read-across source
Temp.:
20 °C
Vapour pressure:
0 Pa
Temp.:
25 °C
Vapour pressure:
0.001 Pa
Temp.:
50 °C
Vapour pressure:
0.004 Pa
Remarks on result:
other: The values at 20, 25, and 50°C were calculated using the Antoine equation.

The vapour pressure of the test item was determined via vapour pressure balance (effusion method; OECD guideline 104 and EU-Method A.4) in the temperature range of 16 to 138°C.

Two measurements were carried out:

-test item was degassed under vacuum (first run)

-no degassing was performed (second run)

Results of the first run

Temperature (°C)

Vapour pressure (hPa)

59.5

5.4 x 10E-5

60.2

6.8 x 10E-5

65.2

1.2 x 10E-4

69.7

1.7 x 10E-4

70.0

1.9 x 10E-4

76.1

2.9 x 10E-4

76.7

2.6 x 10E-4

83.2

4.1 x 10E-4

93.3

5.6 x 10E-4

94.6

5.5 x 10E-4

104.8

7.9 x 10E-4

117.0

2.4 x 10E-3

118.7

2.7 x 10E-3

123.4

6.8 x 10E-3

125.1

5.8 x 10E-3

130.7

9.9 x 10E-3

133.8

6.3 x 10E-3

134.0

5.0 x 10E-3

137.4

4.0 x 10E-3

Results of the second run

Temperature (°C)

Vapour pressure (hPa)

43.2

1.8 x 10E-5

43.7

1.8 x 10E-5

49.1

3.7 x 10E-5

49.5

3.9 x 10E-5

55.0

8.5 x 10E-5

55.1

8.5 x 10E-5

60.2

1.1 x 10E-4

60.2

1.2 x 10E-4

65.0

1.6 x 10E-4

65.1

1.6 x 10E-4

69.8

2.0 x 10E-4

69.8

2.0 x 10E-4

74.8

2.5 x 10E-4

74.8

2.4 x 10E-4

80.1

3.1 x 10E-4

80.2

3.1 x 10E-4

85.6

3.5 x 10E-4

85.6

3.5 x 10E-4

100.8

5.7 x 10E-4

100.8

5.7 x 10E-4

119.3

1.3 x 10E-3

119.4

1.6 x 10E-3

119.5

1.3 x 10E-3

130.6

3.1 x 10E-3

130.7

3.4 x 10E-3

137.5

4.1 x 10E-3

137.5

4.1 x 10E-3

No signal was observed up to a temperature of 39°C. Above 43°C, a vapour pressure could be measured.

Conclusions:
The vapour pressure of the analogue source test substance was determined via vapour pressure balance (effusion method; OECD guideline 104 and EU-Method A.4) in the temperature range of 16 to 138°C. Two measurements were carried out (test item was degassed under vacuum; first run and without degassing; second run). No signal was observed up to a temperature of 39°C. Above 43°C, a vapour pressure could be measured. Based on the experimentally derived results and using the Antoine equation the vapour pressure at 20, 25, and 50°C were calculated. The test item shows a very low vapour pressure at ambient temperature (20°C: 4.4 x 10E-6 hPa, 4.4 x 10E-4 Pa; 25°C: 6.7 x 10E-6 hPa, 6.7 x 10E-4 Pa).
Executive summary:

The vapour pressure of the analogue source test substance was determined via vapour pressure balance (effusion method; OECD guideline 104 and EU-Method A.4) in the temperature range of 16 to 138°C. Two measurements were carried out (test item was degassed under vacuum; first run and without degassing; second run). No signal was observed up to a temperature of 39°C. Above 43°C, a vapour pressure could be measured. Based on the experimentally derived results and using the Antoine equation the vapour pressure at 20, 25, and 50°C were calculated. The test item shows a very low vapour pressure at ambient temperature (20°C: 4.4 x 10E-6 hPa, 4.4 x 10E-4 Pa; 25°C: 6.7 x 10E-6 hPa, 6.7 x 10E-4 Pa).

It can be expected that the study results are also applicable to the target substance Fatty acids, C18 unsatd., reaction products with triethanolamine, di-Me sulfate-quaternized.

Description of key information

Vapor pressure = 4.4 x 10E-6 hPa at 20°C
= 6.7 x 10E-6 hPa at 25°C.

Key value for chemical safety assessment

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

Additional information

No experimental data are available for the target substance oleic acid-based TEA-Esterquat. However, the vapour pressure was determined for the source substance partially unsaturated TEA-Esterquat. A justification for read-across is attached to Iuclid section 13.


The vapour pressure of the test item was determined via vapour pressure balance (effusion method; OECD guideline 104 and EU-Method A.4) in the temperature range of 16 to 138°C. Two measurements were carried out (test item was degassed under vacuum; first run and without degassing; second run). No signal was observed up to a temperature of 39°C. Above 43°C, a vapour pressure could be measured. Based on the experimentally derived results and using the Antoine equation the vapour pressure at 20, 25, and 50°C were calculated. The test item shows a very low vapour pressure at ambient temperature (20°C: 4.4 x 10E-6 hPa, 4.4 x 10E-4 Pa; 25°C: 6.7 x 10E-6 hPa, 6.7 x 10E-4 Pa).