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EC number: 201-128-1 | CAS number: 78-63-7
- 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:
- June 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well conducted study, according to ASTM E1782-08 . This method is not included into EC Regulation No 761/2009, Guideline A.4, but it is expected that this will occur in the near future. Composition of substance with GC analysis incuded in the report.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Version / remarks:
- July 23, 2009
- Deviations:
- not applicable
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- Adopted march 23, 2006
- Deviations:
- not applicable
- Qualifier:
- according to guideline
- Guideline:
- other: ASTM E1782-08,Standard test method for determining vapour pressure by Thermal Analysis, March 1, 2008
- Deviations:
- no
- Principles of method if other than guideline:
- This ASTM method was taken, because for substances which are thermally unstable and contain impurities it is a more suitable method than the other methods listed in the above-mentioned guidelines. It is expected that this method will be included into EC Guideline A.4 in the near future. Last year a request for inclusion was sent to the Dutch National Coordinator for EC Test Methods.
- GLP compliance:
- no
- Type of method:
- other: DSC, Differential Scanning Calorimetry
- Temp.:
- 20 °C
- Vapour pressure:
- 0.002 Pa
- Remarks on result:
- other: The vapour pressure of pure 2,5-dimethyl-2,5-di(tert-butylperoxy)hexane may be slightly higher than 1.75.10-6 kPa at 20°C, but it certainly will not be higher than 0.01 Pa.
- Conclusions:
- The estimated vapour pressure of the test substance is 1.75.10-6 kPa at 20°C.
The vapour pressure of pure Di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide may be slightly higher than 1.75.10-6 kPa at 20°C, but it certainly will not be higher than 0.01 Pa. - Executive summary:
This study is done with a purified di-tert-butyl 1,1,4,4-tetramethylene diperoxide, so with a minimum interference of volatile impurities, which enhance the vapour pressure..
The vapour pressure of pure di-tert-butyl 1,1,4,4-tetramethylene diperoxide may be slightly higher than 0.00175 Pa at 20°C, but it certainly will not be higher than 0.01 Pa.
Reference
Calibration
The pressure transducer was calibrated at June 4, 2010 over a pressure range of 0 to 13 kPa. The measured deviation was maximum 0.0013 kPa.
The temperature deviation as function of pressure was determined over a pressure range of 0.02 – 100 kPa with 12.74 mg Indium in a70 µl Aluminium cup with pierced lid. The heating rate was 5°C/min. The measured boiling temperatures of the test substance at the different pressures were corrected for this deviation.
Test substance
Five measurements at different pressures were carried out with the test substance. The intakes, the measured boiling temperatures and their corresponding observed pressures are listed in the table below.
Measurement |
Intake [mg] |
Observed pressure [kPa] |
Boiling temperature [°C] |
1 |
15.04 |
0.0395 |
58.35 |
2 |
14.95 |
0.0839 |
65.24 |
3 |
15.12 |
0.1180 |
70.33 |
4 |
14.78 |
0.2500 |
82.08 |
5 |
14.75 |
0.5180 |
94.36 |
The p,T-diagram of the individual measurements is shown in the attachment with the Antoine fit (regression line) of the measured data.
The Antoine equation constants A, B and C are calculated from this fit. This results in the following Antoine equation:
Log p (kPa) = 1.701918 – {203.4461/[ T(K) – 265.875]}
The estimated vapour pressure of the test substance calculated from this equation is 1.75∙10-6kPa at 20°C
The impurities in the test substance will have vapour pressures equal to or lower than that ofDi-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide, since the more volatile impurities were removed during the sample preparation step. This means that the vapour pressure of pure
Di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxidemay be slightly higher than the measured value of1.75∙10-6kPa at 20°C. But because of the low amount of remaining impurities, it certainly will not be higher than the cut off value of 0.01 Pa (i.e.10-5kPa), which is applied in the ECETOC Targeted Data Risk Assessment Report (see below).
1.75.10-6 kPa= 0.00175Pa
Description of key information
The estimated vapour pressure of the test substance is 1.75.10-6 kPa at 20°C.
The vapour pressure of pure Di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide may be slightly higher than 1.75.10-6 kPa at 20°C, but it certainly will not be higher than 0.01 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 0.002 Pa
- at the temperature of:
- 20 °C
Additional information
Two studies are available on the vapour pressure determination of the product Trigonox 101.The first study (Nagelhout, 2011) shows an extrapolated vapour pressure of 0.00175 Pa at 20°C. This value is used as key value for chemical safety assessment.
In the second disregarded study, the vapour pressure was found to be 3.8 mbar at 90 °C and 24 mbar at 123 °C. Using the Antoine equation, the calculated vapour pressure at 25 °C is 0.016 mbar.
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