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EC number: 237-331-7 | CAS number: 13749-61-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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:
- Experimental Starting Date: 05 July 2012, Experimental Completion Date: 16 July 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: vapour pressure balance
- Temp.:
- 25 °C
- Vapour pressure:
- 3.9 Pa
- Conclusions:
- The vapor pressure of the test item has been determined to be 3.9 Pa at 25 ºC.
- Executive summary:
Method
The vapor pressure was determined using a vapor pressure balance with measurements being made at several temperatures and linear regression analysis used to calculate the vapor pressure at 25 °C.
The determination was carried out using a procedure designed to be compatible with Method A4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.
Conclusion
The vapor pressure of the test item has been determined to be 3.9 Pa at 25 ºC.
Reference
Results
Recorded temperatures, mass differences and the resulting calculated values of vapor pressure are shown in the following tables and figures:
Run 1
Table 3.1 – Vapor Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference (µg) |
Mass Difference (kg) |
Vapor Pressure (Pa) |
Log10Vp |
0 |
273.15 |
0.003660992 |
90.34 |
9.034E-08 |
0.125415065 |
-0.901650293 |
1 |
274.15 |
0.003647638 |
70.43 |
7.043E-08 |
0.097774884 |
-1.009772690 |
2 |
275.15 |
0.003634381 |
75.99 |
7.599E-08 |
0.105493589 |
-0.976773934 |
3 |
276.15 |
0.003621220 |
94.21 |
9.421E-08 |
0.130787616 |
-0.883433375 |
4 |
277.15 |
0.003608154 |
120.00 |
1.200E-07 |
0.166590744 |
-0.778349133 |
5 |
278.15 |
0.003595182 |
146.12 |
1.461E-07 |
0.202851996 |
-0.692820715 |
6 |
279.15 |
0.003582303 |
172.48 |
1.725E-07 |
0.239446429 |
-0.620791635 |
7 |
280.15 |
0.003569516 |
185.34 |
1.853E-07 |
0.257299404 |
-0.589561220 |
8 |
281.15 |
0.003556820 |
254.32 |
2.543E-07 |
0.353061316 |
-0.452149864 |
9 |
282.15 |
0.003544214 |
272.66 |
2.727E-07 |
0.378521935 |
-0.421908948 |
10 |
283.15 |
0.003531697 |
343.04 |
3.430E-07 |
0.476227406 |
-0.322185615 |
A plot of log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 1 (see attached background materia) gives the following statistical data using an unweighted least squares treatment.
Slope -5.31 x 103
Standard deviation in slope 451
Intercept 18.4
Standard deviation in intercept 1.62
The results obtained indicate the following vapor pressure relationship:
Log10(Vp (Pa)) = -5.31 x 103/temp(K) + 18.4
The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.589.
This gives a vapor pressure of 3.9 Pa at 298.15 K.
Run 2
Table 3.2 – Vapor Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference (µg) |
Mass Difference (kg) |
Vapor Pressure (Pa) |
Log10Vp |
0 |
273.15 |
0.003660992 |
117.34 |
1.173E-07 |
0.162897982 |
-0.788084295 |
1 |
274.15 |
0.003647638 |
120.30 |
1.203E-07 |
0.167007221 |
-0.777264751 |
2 |
275.15 |
0.003634381 |
130.96 |
1.310E-07 |
0.181806032 |
-0.740391712 |
3 |
276.15 |
0.003621220 |
155.50 |
1.555E-07 |
0.215873839 |
-0.665799985 |
4 |
277.15 |
0.003608154 |
165.63 |
1.656E-07 |
0.229936874 |
-0.638391377 |
5 |
278.15 |
0.003595182 |
224.26 |
2.243E-07 |
0.311330335 |
-0.506778561 |
6 |
279.15 |
0.003582303 |
163.33 |
1.633E-07 |
0.226743885 |
-0.644464417 |
7 |
280.15 |
0.003569516 |
256.70 |
2.567E-07 |
0.356365366 |
-0.448104510 |
8 |
281.15 |
0.003556820 |
273.29 |
2.733E-07 |
0.379396537 |
-0.420906638 |
9 |
282.15 |
0.003544214 |
310.62 |
3.106E-07 |
0.431220140 |
-0.365300963 |
10 |
283.15 |
0.003531697 |
322.90 |
3.229E-07 |
0.448267927 |
-0.348462334 |
Data has not been used in calculations, see discussion for explanation.
Run 3
Table 3.3 – Vapor Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference (µg) |
Mass Difference (kg) |
Vapor Pressure (Pa) |
Log10Vp |
0 |
273.15 |
0.003660992 |
197.92 |
1.979E-07 |
0.274763667 |
-0.561040696 |
1 |
274.15 |
0.003647638 |
120.00 |
1.200E-07 |
0.166590744 |
-0.778349133 |
2 |
275.15 |
0.003634381 |
103.77 |
1.038E-07 |
0.144059346 |
-0.841458562 |
3 |
276.15 |
0.003621220 |
594.64 |
5.946E-07 |
0.825512666 |
-0.083276259 |
4 |
277.15 |
0.003608154 |
1032.39 |
1.032E-06 |
1.433221817 |
0.156313410 |
5 |
278.15 |
0.003595182 |
166.65 |
1.667E-07 |
0.231352895 |
-0.635725061 |
6 |
279.15 |
0.003582303 |
1160.54 |
1.161E-06 |
1.611126849 |
0.207129735 |
7 |
280.15 |
0.003569516 |
609.46 |
6.095E-07 |
0.846086623 |
-0.072585171 |
9 |
282.15 |
0.003544214 |
438.84 |
4.388E-07 |
0.609222350 |
-0.215224172 |
10 |
283.15 |
0.003531697 |
872.09 |
8.721E-07 |
1.210684348 |
0.083030928 |
Data has not been used in calculations, see discussion for explanation.
Run 4
Table 3.4 – Vapor Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference (µg) |
Mass Difference (kg) |
Vapor Pressure (Pa) |
Log10Vp |
0 |
273.15 |
0.003660992 |
362.00 |
3.620E-07 |
0.502548744 |
-0.298821808 |
1 |
274.15 |
0.003647638 |
298.58 |
2.986E-07 |
0.414505536 |
-0.382469665 |
2 |
275.15 |
0.003634381 |
829.65 |
8.297E-07 |
1.151766755 |
0.061364539 |
5 |
278.15 |
0.003595182 |
10.23 |
1.023E-08 |
0.014201861 |
-1.847654745 |
6 |
279.15 |
0.003582303 |
78.98 |
7.898E-08 |
0.109644475 |
-0.960013249 |
7 |
280.15 |
0.003569516 |
4.75 |
4.750E-09 |
0.006594217 |
-2.180836769 |
9 |
282.15 |
0.003544214 |
34.41 |
3.441E-08 |
0.047769896 |
-1.320845706 |
Data has not been used in calculations, see discussion for explanation.
Discussion
After the preliminary run, a number of main sequences were started which resulted in erratic vapor pressure values within each run. There were no obvious reasons apparent for this erratic behavior. The same sample of the test item was then run on another instrument and this also resulted in erratic vapor pressure values. Finally, a fresh sample of the test item was used for the main sequence which resulted in the first run showing good correlation for the straight line graph (see Figure 3.2 - attached background material), with the subsequent runs becoming increasingly erratic (see Figures 3.3, 3.4, and 3.5 - attached background material). This suggested that interaction between the test item and the vapor pressure balance may be responsible, for the increasingly erratic vapor pressure values with time. Therefore, as the run 1 shows good correlation and has been in contact with the vapor pressure balance for the least period of time, it has been used for calculating the definitive vapor pressure for the test item.
Description of key information
The vapor pressure of the test item has been determined to be 3.9 Pa at 25 ºC.
Key value for chemical safety assessment
- Vapour pressure:
- 3.9 Pa
- at the temperature of:
- 25 °C
Additional information
The vapor pressure was determined using a vapor pressure balance with measurements being made at several temperatures and linear regression analysis used to calculate the vapor pressure at 25 °C.
The determination was carried out using a procedure designed to be compatible with Method A4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.
The vapor pressure of the test item has been determined to be 3.9 Pa at 25 ºC.
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