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EC number: 271-668-0 | CAS number: 68603-62-3
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 10 July 2017 - 19 January 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study was conducted in accordance with international guidelines and in accordance with GLP. All guideline validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- Regulation (EC) 440/2008 of 30 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- July 2006
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: Knudsen cell
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.002 Pa
- Remarks on result:
- other: Determined using a mean molecular weight.
- Remarks:
- 544.89405 g/mol
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 0.003 Pa
- Remarks on result:
- other: Determined using a mean molecular weight.
- Remarks:
- 544.89405 g/mol
- Key result
- Test no.:
- #3
- Temp.:
- 50 °C
- Vapour pressure:
- 0.008 Pa
- Remarks on result:
- other: Determined using a mean molecular weight.
- Remarks:
- 544.89405 g/mol
- Amines, C12-branched alkyl, benzenesulfonates C12 (1:1): 509.8276 g/mol;
- Amines, C14-branched alkyl, benzenesulfonates C15: 579.9605 g/mol
- Mean molecular weight: 544.89405 g/mol
- Conclusions:
- The vapour pressure of the test item was calculated to be
- 20 ̊C: VP = 0.00208 Pa
- 25 ̊C: VP = 0.00268 Pa
- 50 ̊C: VP = 0.00841 Pa
These values were determined using a mean molecular weight of 544.89 g/mol. - Executive summary:
EU Method A.4. – The vapour pressure of the test item was determined utilising the effusion method (Knudsen cell). The procedure employed was designed to be compatible with Method A.4. Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008.
The vapour pressure of the test item was measured across a temperature range of 51 °C to 91 °C. Values measured across this range showed a good linear response. The test item vapour pressure at 20 °C, 25 °C and 50 °C was extrapolated from a regression of measured values. As the test item test item is a complex substance, these values were determined using a mean molecular weight of 544.89 g/mol.
The vapour pressure of the test item has been determined to be 2.08 x 10-3 Pa at 20.0 °C, using a mean molecular weight of 544.89 g/mol.
Reference
The vapour pressure was measured in the temperature range of 50 to 90 °C. As the test item is a complex substance, the vapor pressure is calculated using the following molar masses:
Given the complex nature of the test item, these molecular weights were selected as they represent a molecular weight range that accounts for 91.15 % (w/w) of the test item. The measured vapour pressure values together with the measured temperatures are listed in Table 3:
Table 2: Results of the Effusion method
No. |
Temperature (°C) |
Vapour pressure (Pa) |
Vapour pressure (Pa) |
Vapour pressure (Pa) |
509.8276 g/mol |
579.9605 g/mol |
544.8941 g/mol |
||
1 |
51 |
8.83 x 10-3 |
8.27 x 10-3 |
8.54 x 10-3 |
2 |
61 |
1.32 x 10-2 |
1.24 x 10-2 |
1.28 x 10-2 |
3 |
71 |
2.08 x 10-2 |
1.95 x 10-2 |
2.01 x 10-2 |
4 |
81 |
2.97 x 10-2 |
2.78 x 10-2 |
2.87 x 10-2 |
5 |
91 |
3.87 x 10-2 |
3.62 x 10-2 |
3.74 x 10-2 |
From the measured data points of the vapour pressure curve the constants A and B of the Antoine equation:
Log10p = A + B/T = A + B/C + t
Where:
p = vapour pressure
A = constant
B = slope of the line
T = temperature (Kelvin)
C = 273.15 K
t = temperature (Celcius)
Table 3: Linear Regression Data Points
Molecular weight |
509.8276 g/mol |
579.9605 g/mol |
544.8941 g/mol |
A |
3.8705 |
3.8425 |
3.8560 |
B |
-1916.65 |
||
C |
273.15 |
||
The vapour pressure of the test item Amines, C12-C14-branched alkyl, dodecylbenzenesulfonates (1:1) (calculated with the average molecular weight of 544.8941 g/mol) calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C, according to Regulation EC No. 440/2008 Method A.4. Vapour Pressure and OECD Test Guideline 104 (2006) is shown in Table 4:
Table 4: Calculated vapour pressure values for 20, 25 and 50 °C
Temperature (°C) |
Vapour pressure (Pa) |
Vapour pressure (Pa) |
Vapour pressure (Pa) |
509.8276 g/mol |
579.9605 g/mol |
544.8941 g/mol |
|
20 |
2.15 × 10 -3 |
2.02 × 10 -3 |
2.08 × 10 -3 |
25 |
2.77 × 10 -3 |
2.59 × 10 -3 |
2.68 × 10 -3 |
50 |
8.70 × 10 -3 |
8.15 × 10-3 |
8.41 x 10-3 |
The vapour pressure of the test item was determined on the basis of the mean molecular weight (544.89405 g/mol).
Description of key information
Vapour Pressure: 0.00208 Pa at 20 °C; EU Method A.4.; S Seitz (2017)
Key value for chemical safety assessment
- Vapour pressure:
- 0.002 Pa
- at the temperature of:
- 20 °C
Additional information
EU Method A.4. – The vapour pressure of the test item was determined utilising the effusion method (Knudsen cell). The procedure employed was designed to be compatible with Method A.4. Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008.
The vapour pressure of the test item was measured across a temperature range of 51 °C to 91 °C. Values measured across this range showed a good linear response. The test item vapour pressure at 20 °C, 25 °C and 50 °C was extrapolated from a regression of measured values. As the test item test item is a complex substance, these values were determined using a mean molecular weight of 544.89 g/mol.
The vapour pressure of the test item has been determined to be 2.08 x 10-3 Pa at 20.0 °C, using a mean molecular weight of 544.89 g/mol.
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