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EC number: 940-726-3 | CAS number: 1174522-09-8
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- The study was conducted in accordance with relevant test method but not in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- dynamic method
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 34 Pa
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 51 Pa
- Key result
- Temp.:
- 50 °C
- Vapour pressure:
- 300 Pa
- Conclusions:
- Vapour pressure values of 34 Pa, 51 Pa and 300 Pa at 20°C, 25°C and 50°C respectively were determined for the substance using a relevant test method. The result is considered reliable.
Reference
Table 1: Experimental vapor pressure data for GTL Solvent GS 190
T / K |
Pexp/ kPa |
Pcalc/ kPa |
1-Pexp/Pcalc |
326.34 |
0.368 |
0.364 |
-1.19% |
331.18 |
0.496 |
0.488 |
-1.62% |
335.72 |
0.638 |
0.636 |
-0.41% |
338.35 |
0.738 |
0.738 |
0.00% |
342.22 |
0.905 |
0.913 |
0.88% |
345.76 |
1.10 |
1.10 |
0.74% |
351.40 |
1.46 |
1.48 |
1.14% |
358.97 |
2.15 |
2.15 |
-0.24% |
362.80 |
2.58 |
2.57 |
-0.16% |
370.63 |
3.69 |
3.67 |
-0.45% |
376.56 |
4.77 |
4.74 |
-0.56% |
382.19 |
6.02 |
5.99 |
-0.40% |
388.33 |
7.68 |
7.66 |
-0.33% |
395.44 |
10.06 |
10.05 |
-0.08% |
404.96 |
14.15 |
14.19 |
0.29% |
415.88 |
20.48 |
20.58 |
0.46% |
424.04 |
26.57 |
26.74 |
0.66% |
432.81 |
34.90 |
34.96 |
0.19% |
442.70 |
46.51 |
46.56 |
0.11% |
452.41 |
61.07 |
60.76 |
-0.52% |
462.46 |
79.54 |
78.91 |
-0.80% |
471.61 |
99.08 |
98.91 |
-0.18% |
Antoine parameters fitted to the experimental data are shown in Table 2
Table 2: Antoine parameters of the pure components:
DDB format: log (P/Torr) = A – B / (C + T/°C)
component |
A |
B |
C |
GTL Solvent GS 190 |
6.93168 |
1574.4 |
189.198 |
Aspen format: ln (P/Torr) = A + B / (C + T/°C)
component |
A |
B |
C |
GTL Solvent GS 190 |
15.9608 |
-3625.19 |
189.198 |
From the equations above, the author of the EPSR estimated the following vapour pressure values for the substance.
DDB Method |
|
|
|
Temp (°C) |
log p (torr) |
VP (torr) |
VP (Pa) |
20 |
-0.5942 |
0.254563 |
3.4E+01 |
25 |
-0.41853 |
0.38148 |
5.1E+01 |
30 |
-0.25087 |
0.561219 |
7.5E+01 |
40 |
0.06251 |
1.154809 |
1.5E+02 |
50 |
0.349685 |
2.237099 |
3.0E+02 |
Aspen Method |
|
|
|
Temp (°C) |
ln p (torr) |
VP (torr) |
VP (Pa) |
20 |
-1.36819 |
0.254567 |
3.4E+01 |
25 |
-0.96368 |
0.381486 |
5.1E+01 |
30 |
-0.57763 |
0.561229 |
7.5E+01 |
40 |
0.143952 |
1.154828 |
1.5E+02 |
50 |
0.805197 |
2.237136 |
3.0E+02 |
Description of key information
Vapour pressure (whole substance): 34 Pa, 51 Pa and 300 Pa at 20°C, 25°C and 50°C respectively (measured).
Vapour pressure (individual constituents): 3.0 to 330 Pa at 25°C (QSAR).
Key value for chemical safety assessment
- Vapour pressure:
- 34 Pa
- at the temperature of:
- 20 °C
Additional information
Vapour pressure values of 34 Pa, 51 Pa and 300 Pa at 20°C, 25°C and 50°C respectively were determined for the substance using dynamic method in accordance with OECD 104 test method. The measurements were made at several temperatures (53.19°C to approximately 198.5°C), therefore linear regression analysis was used to calculate the vapour pressures at 20°C, 25°C and 50°C. The result is considered to be reliable and selected as key study.
Since the submission substance is a UVCB substance, the vapour pressures of the individual constituents are also important. Measured vapour pressure for the whole substance is preferred for the purpose of human health exposure assessment while the vapour pressure of individual constituents is useful for environmental risk characterisation.
This endpoint can be can be characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with QSAR software (see IUCLID Section 13).
As supporting information, the vapour pressure of the individual constituents was determined using a validated QSAR estimation method. Vapour pressure in the range 3.0 to 330 Pa at 25°C was determined for the constituents of the submission substance.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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