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EC number: 206-922-1 | CAS number: 400-38-4
- 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
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Final report: April 21st, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- static method
Test material
- Reference substance name:
- Isopropyl trifluoroacetate
- EC Number:
- 206-922-1
- EC Name:
- Isopropyl trifluoroacetate
- Cas Number:
- 400-38-4
- Molecular formula:
- C5H7F3O2
- IUPAC Name:
- propan-2-yl 2,2,2-trifluoroacetate
- Test material form:
- liquid
- Details on test material:
- Name: Isopropyl trifluoroacetate
Constituent 1
- Specific details on test material used for the study:
- PRINCIPLE
The static method is used to evaluate the vapour pressure of chemical compounds. In this process, at thermodynamic equilibrium, the vapour pressure established in a closed system is determined at a specified temperature. This method is suitable for pure solids and/or liquids as well as mixtures thereof. It provides accurate results for pressures ranging from 10 up to 105 Pa, but can also be used in the range 1 to 10 Pa. In this case, providing care is taken.
EQUIPMENT
Measurement cell: A custom-made static cell mounted
Temperature probe: Pt100 type
Pressure sensor: MKS 631, 0-1000 torr absolute
Data acquisition unit: Agilent 34970-A
PERFORMANCE OF THE TEST
About 15 mL of the test item was introduced into the apparatus and degassed at 5°C. The test item was then transferred into the static cell, which was previously put under vacuum. The measurement cell is surrounded by a jacket through which a thermally regulated fluid can circulate.
The temperature of the bath was adjusted to different values from 6.6 °C up to 40.2 °C. For each bath temperature, once the temperature and pressure inside the cell were stable, three readings were made, spaced by not less than 5 minutes.
Results and discussion
Vapour pressureopen allclose all
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 12 192 Pa
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 15 654 Pa
Any other information on results incl. tables
The measured data is self-consistent, as shown by the coefficient of determination: R²=0.999.
Definition of terms: Texp= Experimental temperature (°C)
Pexp= Experimental pressure (mbar)
Table 1: Data recorded during the experiment
Texp [°C] |
Pexp [mbar] |
1/Texp [K-1] |
Ln(Pexp) with Pexpin mbar |
20.45 |
125.95 |
0.00341 |
4.836 |
20.53 |
126.14 |
0.00341 |
4.837 |
20.54 |
126.17 |
0.00340 |
4.838 |
6.55 |
58.65 |
0.00358 |
4.072 |
6.56 |
58.65 |
0.00358 |
4.072 |
6.57 |
58.65 |
0.00358 |
4.072 |
11.69 |
77.59 |
0.00351 |
4.351 |
11.67 |
77.56 |
0.00351 |
4.351 |
11.67 |
77.52 |
0.00351 |
4.351 |
30.70 |
205.11 |
0.00329 |
5.324 |
30.67 |
205.09 |
0.00329 |
5.323 |
30.69 |
205.03 |
0.00329 |
5.323 |
40.19 |
313.57 |
0.00319 |
5.748 |
40.18 |
313.56 |
0.00319 |
5.748 |
40.14 |
313.47 |
0.00319 |
5.748 |
The uncertainty of measurement for pressure was about 0.7 mbar and for temperature, it was about 0.05 °C The measured vapour pressures were used to regress the coefficients of Antoine's law reported in Table 2 using the following equation. They enable to calculate the vapour pressure of the test item at any given temperature provided this temperature falls within the range specified in the same table.
Ln P = A + B / (T+C)
With Pcalc(calculated pressure) in mbar and T in K
Table 2: Antoine's law coefficients
A |
B |
C |
16.08363 |
-2489.57495 |
-72.44769 |
The maximum error involved by the modelling of vapour pressure with our Antoine’s law is about 0.8 mbar which is in magnitude of the uncertainty of measurement of pressure.
Table 3: Average of measured values and calculated data with Antoine's law coefficients
Texp [°C] |
Pexp [mbar] |
Pcalc [mbar] |
Pexp– Pcalc [mbar] |
20.51 |
126.09 |
125.12 |
0.97 |
6.56 |
58.65 |
58.67 |
0.02 |
11.68 |
77.56 |
78.37 |
0.81 |
30.69 |
205.08 |
205.29 |
0.21 |
40.17 |
313.53 |
313.55 |
0.02 |
Applicant's summary and conclusion
- Conclusions:
- Using the Antoine’s law, the vapour pressure was calculated at 20 and 25°C.
The vapour pressure of the test item at 20°C is 121.92 mbar +/- 0.97 mbar.
The vapour pressure of the test item at 25°C is 156.54 mbar +/- 0.97 mbar. - Executive summary:
The vapour pressure of Isopropyl trifluoroacetate was determined using a static cell, following OECD guideline 104.
The vapour pressure of the test item at 20°C is 121.92 mbar +/- 0.97 mbar.
The vapour pressure of the test item at 25°C is 156.54 mbar +/- 0.97 mbar.
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