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EC number: - | CAS number: -
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- Study completion date - 17 May 2010.
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- other: calculation
- Specific details on test material used for the study:
- Identification: FAT 40851/A TE
Batch Number: TZ 5891 / BOP 02-09
Purity: 69.9 % all coloured components
Appearance: Orange powder
Expiry Date: July 31, 2014
Storage Conditions: At room temperature at about 20 °C - Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: The calculated vapour pressure of test substance is estimated to be 2.70 x 10e-37 Pa at 25 °C.
- Conclusions:
- The vapor pressure of test substance was estimated to be 2.70 x 10e-37 Pa at 25 °C based on the calculated boiling point and using the Modified Watson Correlation.
- Executive summary:
The estimation of the vapour pressure of test substance was based on the EEC directive 92/69,Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour Pressure”, EEC Publication No. L383, December 1992 and the OECD Guideline No. 104, “Vapour Pressure”, adopted July 27, 1995. The boiling point of test substance was calculated to be approximately 981 °C using Meissner’s method. The calculation was performed for the free acid form of the main component. The vapour pressure of test substance was estimated to be 2.70 x 10 -37 Pa at 25 °C based on the boiling point calculated and using the Modified Watson Correlation.
Reference
Table 1: Atomic and Structural Contributions of the Molar Refraction (Rd) and Parachor (Pa) in the Calculation of the Boiling Point of test substance.
Molecular feature |
Frequency |
Molar (Rd) |
Parachor |
C |
43 |
2.418 |
9.2 |
H bonded to O |
6 |
1.1 |
10 |
H bonded to N |
10 |
1.1 |
12.5 |
H bonded to C |
19 |
1.1 |
15.4 |
O (hydroxyl) |
6 |
1.525 |
20 |
O (carbonyl) |
14 |
2.211 |
39 |
F |
2 |
0.95 |
25.5 |
N (primary amine) |
1 |
2.322 |
17.5 |
N (secondary amine) |
6 |
2.502 |
17.5 |
N (tertiary amine or ring) |
10 |
2.84 |
17.5 |
S |
6 |
7.69 |
50 |
6-member ring |
8 |
0 |
0.8 |
Double bond |
38 |
1.733 |
19 |
Strain (RCOOH)* |
6 |
0 |
-3 |
Strain (RCONH2) |
2 |
0 |
-3 |
Strain (R2NH) |
6 |
0 |
-3 |
Sum 344.528 |
2891.6 |
* The group SO3H was evaluated as acidic group.
Table 2: Contributions of the Constant B in the Calculation of the Boiling Point of test substance.
Molecular feature |
Frequency |
B |
Alcohol |
|
|
Acid |
6 |
168000 |
Amines (primary) |
2 |
13000 |
Amines (secondary) |
6 |
12000 |
Aromatic ring |
4 |
-10000 |
Naphtenic |
2 |
-5000 |
Ketone |
2 |
30000 |
Sum |
208000 |
* The group SO3H was evaluated as acidic group.
Description of key information
The substance has negligible vapour pressure and will not be released to the atmosphere.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
The estimation of the vapour pressure of test substance was based on the EEC directive 92/69,Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour Pressure”, EEC Publication No. L383, December 1992 and the OECD Guideline No. 104, “Vapour Pressure”, adopted July 27, 1995. The boiling point of test substance was calculated to be approximately 981 °C using Meissner’s method. The calculation was performed for the free acid form of the main component. The vapour pressure of test substance was estimated to be 2.70 x 10-37 Pa at 25 °C based on the boiling point calculated and using the Modified Watson Correlation.
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