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EC number: 942-085-5 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- 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.
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance Hydrocarbons, C12-C15, n-alkanes, isoalkanes <2% aromatic contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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:
- 4 Pa
- Temp.:
- 25 °C
- Vapour pressure:
- 6.7 Pa
- Temp.:
- 50 °C
- Vapour pressure:
- 58 Pa
- Conclusions:
- Vapour pressure values of 4 Pa, 6.7 Pa and 58 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.
- Executive summary:
Vapour pressure values of 4 Pa, 6.7 Pa and 58 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.
- Endpoint:
- vapour pressure
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- 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.
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- dynamic method
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.23 Pa
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 0.44 Pa
- Key result
- Test no.:
- #3
- Temp.:
- 50 °C
- Vapour pressure:
- 7.1 Pa
- Conclusions:
- Vapour pressure values of 0.23 Pa, 0.44 Pa and 7.1 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.
- Executive summary:
Vapour pressure values of 0.23 Pa, 0.44 Pa and 7.1 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.
- Endpoint:
- vapour pressure
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- 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.
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- dynamic method
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.04 Pa
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 0.08 Pa
- Key result
- Test no.:
- #3
- Temp.:
- 50 °C
- Vapour pressure:
- 1.5 Pa
- Conclusions:
- Vapour pressure values of 0.04 Pa, 0.08 Pa and 1.5 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.
- Executive summary:
Vapour pressure values of 0.04 Pa, 0.08 Pa and 1.5 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.
Referenceopen allclose all
Table 1: Experimental vapor pressure data for GTL Solvent GS 215
T / K |
Pexp/ kPa |
Pcalc/ kPa |
1-Pexp/Pcalc |
344.85 |
0.264 |
0.262 |
-0.56% |
348.52 |
0.330 |
0.329 |
-0.39% |
353.51 |
0.447 |
0.443 |
-0.81% |
358.16 |
0.584 |
0.579 |
-0.86% |
365.31 |
0.849 |
0.856 |
0.85% |
368.59 |
1.01 |
1.02 |
0.69% |
373.45 |
1.29 |
1.30 |
0.79% |
378.06 |
1.63 |
1.63 |
0.06% |
383.35 |
2.10 |
2.10 |
-0.25% |
388.85 |
2.70 |
2.70 |
-0.11% |
395.92 |
3.69 |
3.66 |
-0.60% |
402.15 |
4.75 |
4.75 |
-0.11% |
408.60 |
6.13 |
6.13 |
-0.01% |
416.46 |
8.27 |
8.26 |
-0.13% |
423.20 |
10.55 |
10.53 |
-0.17% |
429.71 |
13.17 |
13.19 |
0.17% |
443.70 |
20.75 |
20.77 |
0.08% |
451.94 |
26.63 |
26.66 |
0.13% |
463.16 |
36.75 |
36.78 |
0.10% |
470.57 |
44.93 |
45.00 |
0.15% |
482.41 |
61.01 |
61.06 |
0.07% |
491.26 |
76.08 |
75.75 |
-0.43% |
500.26 |
94.70 |
93.38 |
-1.42% |
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 215 |
6.68787 |
1496.42 |
162.330 |
Aspen format: ln (P/Torr) = A + B / (C + T/°C)
component |
A |
B |
C |
GTL Solvent GS 215 |
15.3994 |
-3445.63 |
162.330 |
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 |
-1.51934 |
0.030246 |
4.0E+00 |
25 |
-1.30028 |
0.050087 |
6.7E+00 |
30 |
-1.09261 |
0.080796 |
1.1E+01 |
40 |
-0.70807 |
0.195854 |
2.6E+01 |
50 |
-0.35974 |
0.436773 |
5.8E+01 |
Aspen Method |
|||
Temp (°C) |
ln p (torr) |
VP (torr) |
VP (Pa) |
20 |
-3.49837 |
0.030247 |
4.0E+00 |
25 |
-2.99397 |
0.050088 |
6.7E+00 |
30 |
-2.5158 |
0.080798 |
1.1E+01 |
40 |
-1.63035 |
0.19586 |
2.6E+01 |
50 |
-0.82831 |
0.436786 |
5.8E+01 |
Table 1: Experimental vapor pressure data for GTL Solvent GS 250
T / K |
Pexp/ kPa |
Pcalc/ kPa |
1-Pexp/Pcalc |
369.93 |
0.261 |
0.263 |
0.66% |
375.82 |
0.371 |
0.375 |
1.04% |
379.79 |
0.467 |
0.472 |
0.97% |
384.29 |
0.601 |
0.607 |
0.98% |
387.73 |
0.725 |
0.731 |
0.83% |
391.21 |
0.872 |
0.878 |
0.62% |
396.22 |
1.15 |
1.13 |
-1.10% |
400.56 |
1.42 |
1.40 |
-1.16% |
406.90 |
1.92 |
1.89 |
-1.21% |
413.28 |
2.54 |
2.53 |
-0.71% |
420.21 |
3.42 |
3.40 |
-0.49% |
427.28 |
4.55 |
4.54 |
-0.05% |
434.79 |
6.09 |
6.09 |
-0.02% |
441.46 |
7.76 |
7.80 |
0.55% |
445.00 |
8.80 |
8.86 |
0.68% |
452.19 |
11.29 |
11.37 |
0.75% |
461.29 |
15.37 |
15.36 |
-0.08% |
470.50 |
20.25 |
20.46 |
1.03% |
478.39 |
25.62 |
25.85 |
0.91% |
489.82 |
35.31 |
35.62 |
0.88% |
500.43 |
46.73 |
47.11 |
0.81% |
507.08 |
55.01 |
55.68 |
1.20% |
517.40 |
70.96 |
71.32 |
0.50% |
529.30 |
94.15 |
93.39 |
-0.81% |
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 250 |
6.61207 |
1486.73 |
138.560 |
Aspen format: ln (P/Torr) = A + B / (C + T/°C)
component |
A |
B |
C |
GTL Solvent GS 250 |
15.2249 |
-3423.32 |
138.560 |
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 |
-2.76438 |
0.00172 |
2.3E-01 |
25 |
-2.47774 |
0.003329 |
4.4E-01 |
30 |
-2.20811 |
0.006193 |
8.3E-01 |
40 |
-1.71415 |
0.019313 |
2.6E+00 |
50 |
-1.27258 |
0.053385 |
7.1E+00 |
Aspen Method |
|||
Temp (°C) |
ln p (torr) |
VP (torr) |
VP (Pa) |
20 |
-6.36516 |
0.00172 |
2.3E-01 |
25 |
-5.70516 |
0.003329 |
4.4E-01 |
30 |
-5.08431 |
0.006193 |
8.3E-01 |
40 |
-3.94692 |
0.019314 |
2.6E+00 |
50 |
-2.93017 |
0.053388 |
7.1E+00 |
Table 1: Experimental vapor pressure data for GTL Solvent GS 270
T / K |
Pexp/ kPa |
Pcalc/ kPa |
1-Pexp/Pcalc |
393.46 |
0.291 |
0.294 |
0.87% |
396.79 |
0.352 |
0.353 |
0.29% |
401.35 |
0.450 |
0.452 |
0.33% |
405.14 |
0.556 |
0.550 |
-1.12% |
409.14 |
0.679 |
0.674 |
-0.69% |
413.48 |
0.842 |
0.835 |
-0.74% |
418.81 |
1.09 |
1.08 |
-1.16% |
424.19 |
1.37 |
1.38 |
0.82% |
428.24 |
1.65 |
1.65 |
0.45% |
432.50 |
1.98 |
1.99 |
0.54% |
440.99 |
2.84 |
2.84 |
0.12% |
447.87 |
3.75 |
3.73 |
-0.45% |
452.47 |
4.47 |
4.45 |
-0.33% |
460.92 |
6.11 |
6.09 |
-0.39% |
468.15 |
7.89 |
7.85 |
-0.48% |
476.45 |
10.43 |
10.39 |
-0.38% |
484.71 |
13.60 |
13.56 |
-0.31% |
494.63 |
18.33 |
18.37 |
0.18% |
505.70 |
25.20 |
25.31 |
0.44% |
516.14 |
33.55 |
33.68 |
0.39% |
523.91 |
41.05 |
41.28 |
0.56% |
532.63 |
50.78 |
51.37 |
1.15% |
542.76 |
65.04 |
65.50 |
0.71% |
552.10 |
81.49 |
81.12 |
-0.46% |
560.70 |
99.57 |
97.97 |
-1.63% |
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 270 |
6.98164 |
1810.9 |
152.481 |
Aspen format: ln (P/Torr) = A + B / (C + T/°C)
component |
A |
B |
C |
GTL Solvent GS 270 |
16.0758 |
-4169.75 |
152.481 |
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 |
-3.51749 |
0.000304 |
4.0E-02 |
25 |
-3.22171 |
0.0006 |
8.0E-02 |
30 |
-2.94213 |
0.001143 |
1.5E-01 |
40 |
-2.42656 |
0.003745 |
5.0E-01 |
50 |
-1.96192 |
0.010917 |
1.5E+00 |
Aspen Method |
|||
Temp (°C) |
ln p (torr) |
VP (torr) |
VP (Pa) |
20 |
-8.09933 |
0.000304 |
4.0E-02 |
25 |
-7.41826 |
0.0006 |
8.0E-02 |
30 |
-6.77452 |
0.001143 |
1.5E-01 |
40 |
-5.58738 |
0.003745 |
5.0E-01 |
50 |
-4.51749 |
0.010916 |
1.5E+00 |
Description of key information
Vapour pressure (whole substance): 0.04 to 34 Pa at 20°C (read-across)
Vapour pressure (individual constituents): 3.4E-02 to 330 Pa at 25°C (QSAR)
Key value for chemical safety assessment
Additional information
There is no data available for Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. However, data is available for structural analogues,Hydrocarbons, C12-C15, n-alkanes, isoalkanes, <2% aromatics;Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics; and Hydrocarbons C15 -C19, n-alkanes, isoalkanes, <2% aromatics and presented in the dossier.The hypothesis for the analogue approach is that the test substances, Hydrocarbons, C12-C15, n-alkanes, isoalkanes <2% aromatics; Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics; and Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics contain constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
There are no reliable measured vapour pressure data for the registration substance. However, reliable data are available for related substances in the relevant carbon number range, including other Fischer-Tropsch process-derived substances.
In OECD 104 studies using the dynamic method, which were conducted in compliance with GLP, Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics (GS160) had vapour pressure values of 34 Pa at 20°C, 51 Pa at 25°C and 300 Pa at 50°C. Hydrocarbons, C12-C15, n-alkanes, isoalkanes, <2% aromatics (GS215) had vapour pressure values of 4 Pa at 20°C, 6.7 Pa at 25°C and 58 Pa at 50°C. Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics (GS250) had vapour pressure values of 0.23 Pa at 20°C, 0.44 Pa at 25°C and 7.1 Pa at 50°C and Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics (GS270) had vapour pressure values of 0.04 Pa at 20°C, 0.08 Pa at 25°C and 1.5 Pa at 50°C. The results are considered to be reliable and are used as weight of evidence.
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 values of the individual constituents were determined using a separately validated QSAR estimation method. Vapour pressures in the range 3.4E-02 to 330 Pa at 25°C were determined for the constituents of the registration 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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
