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EC number: 262-911-1 | CAS number: 61698-32-6
- 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:
- From 27 January 2022 to 21 March 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- 2006
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- 2009
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: Knudsen cell
- Specific details on test material used for the study:
- Actual storage conditions: Stored in original plastic bag in a ventilated closed cupboard at normal laboratory temperature.
- Temp.:
- 82.6 °C
- Vapour pressure:
- < 0.47 Pa
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- < 0.47 Pa
- Executive summary:
The vapour pressure of the test substance was measured according OECD 104 / EU A4 guideline, effusion method with Knudsen cell, and under GLP .
A first experiment was performed between 23.7 and 48.5°C, but the mass losses recorded were not significant compared to baseline. A second program between 46.5 and 82.6°C was tried, but the mass loss observed was still of the same order of magnitude as the baseline mass variation. Moreover the observed mass loss did not correlate with temperature. Attempts for other exploitations did not allow to determine a more accurate vapour pressure either.Due to technical limitations (degradation of test item at higher temperatures) a limit value was derived, as a worst-case:
Using the Hertz-Knudsen formula with the highest temperature (82.6°C) and a mass-loss corresponding to the precision of the balance (0.05 mg, minimum significant mass loss not attained) gives a vapour pressure of 0.47 Pa. The pressures calculated from the thermograms are thus of the same order of magnitude as the pressure obtained using the precision of the balance.
In conclusion, the vapour pressure of the test item is below 0.47 Pa at 82.6°C, and therefore the vapour pressure at 20°C and 25°C is also below 0.47 Pa.
Reference
First Temperature program
Mass loss (mg) | Mass loss duration (s) | Vapour pressure (Pa) | Temperature (K) | 1/T (1/K) | Log10 (p) |
0.074 | 600 | 0.6367 | 296.85 | 3.369 x10-3 | -0.1961 |
0.053 | 600 | 0.4586 | 300.15 | 3.332 x10-3 | -0.3386 |
0.044 | 600 | 0.3850 | 307.05 | 3.257 x10-3 | -0.4145 |
0.010 | 600 | 0.0885 | 314.15 | 3.183 x10-3 | -1.0530 |
0.020 | 600 | 0.1791 | 321.65 | 3.109 x10-3 | -0.7468 |
New temperature program (NP)
Mass loss (mg) | Mass loss duration (s) | Vapour pressure (Pa) | Temperature (K) | 1/T (1/K) | Log10 (p) |
0.018 | 600 | 0.1607 | 319.65 | 3.128 x10-3 | -0.7939 |
0.030 | 600 | 0.2692 | 322.85 | 3.097 x10-3 | -0.5699 |
0.012 | 600 | 0.1096 | 334.55 | 2.989 x10-3 | -0.9601 |
0.014 | 600 | 0.1299 | 344.95 | 2.899 x10-3 | -0.8866 |
0.011 | 600 | 0.1036 | 355.75 | 2.811 x10-3 | -0.9846 |
Other calculation attempts
Considering the default calculations presented above were not reliable, due to mass losses lower than the accuracy of the balance, and baseline drift, other attempts were made to derive more reliable results:
Calculations without baseline correction led to even lower mass losses for the first program (baseline drift in mass gain), still no trend, and VP ranging between 0.02 and 0.19 Pa. For the NP program, mass losses were still < 50 μg, and VP ranged between 0.29 and 0.36 Pa.
Another try was made using the total mass loss over the whole program (18000 or 18600 s duration), and the lower temperature as the worst-case (actual mass loss higher than if the whole experiment had been performed at the lower temperature, i.e. leading to higher VP) in the equation. This time mass losses were significant. Results were 0.36 and 0.13 Pa at 23.6°C, and 0.17 or 0.31 Pa at 46.4°C, respectively with and without baseline correction.
All results obtained were quite consistent (0.02 to 0.64 Pa) considering the measuring scale of vapour pressure (10-10 to 10+5 Pa), but it was not possible to determine an accurate value, due to apparatus and test conditions limitations. The effect of an impurity can’t be excluded either.
Therefore, it was finally decided to calculate a limit value, from the minimum significant mass loss (i.e. 50 μg, accuracy of the balance) that was not achieved even at the higher test temperature for the 10 min isotherm. This gives a vapour pressure of less than 0.47 Pa at 82.6°C.
Description of key information
Could not be measured due to technical limitations. Estimated < 0.47 Pa at 82.6°C, and therefore also < 0.47 Pa at 20°C. (OECD 104, effusion with Knudsen cell, GLP; Noel Y., 2022)
Key value for chemical safety assessment
Additional information
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