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EC number: 460-490-0 | CAS number: 477218-42-1
- 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
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02-07-2004 to 29-11-2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling point/boiling range)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- dynamic method
- Remarks:
- Associated calculation: Meissner's Method also utilised
- Boiling pt.:
- > 181 °C
- Atm. press.:
- 20 hPa
- Decomposition:
- yes
- Decomp. temp.:
- >= 181 °C
- Remarks on result:
- other: at 181°C, slight signs of decomposition were reported in the study (darkening yellow colour).
- Key result
- Boiling pt.:
- 331 °C
- Atm. press.:
- 1 013 hPa
- Remarks on result:
- other: Meissner's Method Calculation
- Conclusions:
- The boiling temperature of the substance has been determined to be 331°C at 101.3 kPa. The substance may undergo thermal rearrangement/decomposition at high temperatures > 181°C.
- Executive summary:
The boiling temperature was determined using OECD TG 103 and EU Method A.2 via the Dynamic Method under GLP, with additional estimations provided according to the scientifically acceptable Meissner’s Method. The test item was seen to decompose (darken in yellow colour) at high temperatures > 181°C at 20 hPa. Under the conditions of the dynamic method at various determination pressures it was concluded that it would be appropriate to estimate the boiling point using Meissner’s Method. The boiling temperature of the substance has been determined to be 331°C at 101.3 kPa.
Reference
Measured temperatures were converted from °C to K using T = t + 273
T = temperature (K)
t = temperature (°C)
Mean Determination 1: 420 K (147°C) at 5 hPa (n=2)
Mean Determination 2: 439 K (166°C) at 10 hPa (n=2)
Mean Determination 3: 441 K (168°C) at 12.5 hPa (n=1)
Mean Determination 4: 445 K (172°C) at 15 hPa (n=1)
Mean Determination 5: 454 K (181°C) at 20 hPa (n=2)
When increasing the pressure, it was not known that it would not be possible to increase the pressure over 20 hPa, due to thermal instability of the product; thus the intermediate points (15 and 12.5 hPa) were not measured when increasing the pressure.
Means of temperatures 1 and 2 were calculated, results were reported on a log P versus 1/(T-43) diagram (Antoine's equation: log P =A+ 8/(C + T) with C =- 43
log P =A+ 8 * 1000/(T- 43)
A= 8.33674757, 8 =- 2.888830742 (R2 = 0.98644, coefficient of determination).
This relationship was used to calculate by extrapolation the normal boiling point. i.e. the boiling temperature corresponding to 1013 hPa.
The result is : 585 K (312°C).
Due to the poor determination coefficient and the wide 95% confidence limits, this result was not considered as valid.
Therefore the normal boiling point was estimated using Meissner’s Method:
The result is : 604 K (331°C).
Using the method described in Lyman, Reehl and Rosenblatt, "Handbook of Chemical Property Estimation Methods, Environmental Behavior of Organic Compounds" (1990), allows the calculation of the vapour pressure at reduced temperature from the boiling point, the boiling temperature under 20 hPa was calculated from several hypothetical boiling points around 600K. For B.P.=600 K (327°C), a vapour pressure of 20.2 hPa was found for a temperature of 454 K, which is in very good agreement with the measured vapour pressure at this temperature (20 hPa). It was considered that Meissner’s Method prediction was the most reliable estimation.
Description of key information
Bp: 331 °C at 101.3 kPa, OECD TG 103 - Dynamic Method with additional estimation based on Meissner's Method, 2004
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 331 °C
Additional information
Key study, OECD TG 103, 2004 : The boiling temperature was determined using OECD TG 103 and EU Method A.2 via the Dynamic Method under GLP, with additional estimations provided according to the scientifically acceptable Meissner’s Method. The test item was seen to decompose (darken in yellow colour) at high temperatures > 181°C at 20 hPa. Under the conditions of the dynamic method at various determination pressures it was concluded that it would be appropriate to estimate the boiling point using Meissner’s Method. The boiling temperature of the substance has been determined to be 331°C at 101.3 kPa.
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