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EC number: 220-585-8 | CAS number: 2825-82-3
- 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:
- no data
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- Procedure similar to guideline and sample identification described with sufficient details. Restrictions due to lack of details on apparatus, and extrapolation.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- GLP compliance:
- no
- Type of method:
- dynamic method
- Temp.:
- 20 °C
- Vapour pressure:
- 260 Pa
- Remarks on result:
- other: extrapolated
- Conclusions:
- Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 500 Pa).
- Executive summary:
The vapour pressure of pure exo-THDCPD was measured with a procedure similar to the OECD104 guideline, dynamic method.
23 measurements were recorded between 2.0 and 101.4 kPa. The coefficients of the non-linear Antoine's equation between VP and 1/T were calculated.
From this relationship, the vapour pressure of the substance, extrapolated to the reference temperature of 20°C, is 260 Pa.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- no data
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Procedure and sample identification are described with sufficient details. Restrictions due to distant extrapolation.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- GLP compliance:
- no
- Type of method:
- dynamic method
- Temp.:
- 393.98 K
- Vapour pressure:
- 15 kPa
- Remarks on result:
- other:
- Remarks:
- measurement at the lowest temperature (120.8°C)
- Temp.:
- 20 °C
- Vapour pressure:
- 0.023 kPa
- Remarks on result:
- other:
- Remarks:
- extrapolated
- Conclusions:
- Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).
- Executive summary:
The vapour pressure of the test substance was measured with a procedure similar to the OECD104 guideline, dynamic (ebulliometer) method.
Eighteen measurements were recorded between ca 15.0 and 101.1 kPa. The coefficients of the non-linear Antoine's equation between VP and 1/T were calculated.
From this relationship, the vapour pressure of the substance, extrapolated to the reference temperature of 20°C, is 0.023 kPa (23 Pa).
Referenceopen allclose all
Vapor pressures of exo-THDCPD:
Psat (kPa) | T (K) |
2.0 | 335.45 |
3.5 | 349.97 |
5.0 | 360.37 |
10.0 | 379.33 |
15.0 | 391.56 |
20.0 | 400.07 |
25.0 | 407.31 |
30.0 | 413.28 |
35.0 | 418.87 |
40.0 | 423.10 |
45.0 | 427.50 |
50.0 | 431.46 |
55.0 | 434.98 |
60.0 | 438.26 |
65.0 | 441.37 |
70.0 | 444.02 |
75.0 | 447.09 |
80.0 | 449.62 |
85.0 | 452.19 |
90.0 | 454.39 |
95.0 | 456.75 |
100.0 | 458.83 |
101.4 | 459.38 |
The experimental vapor pressure data were fitted to the Antoine equation:
ln Psat (kPa) = 17.01851 − (6339.506 / (52.047 + T (K)))
The correlation coefficient (r2) of the fitted for pure component was 0.9999.
The standard deviation of recalculated vapor pressures was 0.00081.
The vapour pressure at 20°C was extrapolated from the above equation.
Bubble-Point Vapor Pressure Data:
T (K) | VP (kPa) |
393.98 | 15.0 |
396.02 | 16.6 |
401.42 | 20.6 |
413.88 | 30.3 |
418.34 | 34.8 |
426.86 | 44.9 |
431.22 | 50.7 |
434.56 | 55.8 |
436.68 | 59.2 |
439.31 | 63.2 |
441.13 | 66.6 |
442.70 | 69.5 |
442.81 | 69.8 |
444.37 | 72.9 |
446.13 | 75.9 |
445.73 | 75.1 |
450.08 | 83.9 |
457.66 | 101.1 |
A nonlinear regression method is used to fit the vapor pressure data to the Antoine equation:
ln VP (kPa) = 11.7067 - (2158.84 / (T (K) - 153.53))
where VP is the vapor pressure, and T is the equilibrium temperature.
average absolute deviation (AAD) = 0.21 kPa
average relative deviation (ARD) = 0.57%
The vapour pressure at 20°C was extrapolated from the above equation.
Description of key information
Low volatility.
Key value for chemical safety assessment
- Vapour pressure:
- 260 Pa
- at the temperature of:
- 20 °C
Additional information
Two reliable publications were identified. Both were considered with restrictions, due to experimental range of temperatures above ambient. Extrapolated results at the reference temerature of 20°C were quite consistent (respectively 260 Pa for Han 2006, and 23 Pa for Xing 2009), considering the measuring scale for this endpoint (ca 10-10 to 10+5 Pa). The key data was chosen based on the less distant extrapolation, i.e. Han, 2006 study.
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