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EC number: 225-806-1 | CAS number: 5089-72-5
- 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:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- The result was obtained using an appropriate QSAR method (see QMRF and QPRF for details).
The model is an adaption of the existing SRC model MPBPVP v1.42 which is a component of the EPIWIN Suite (EPIWIN 2009 and ref). The EPIWIN method uses three methods to predict vapour pressure, all of which are based on the program’s own prediction of boiling point, a measured BP from its experimental database, or a user-entered value:
- Antoine Method (described by Lyman et al, 1990): developed for gases and liquids. MPBPVP has extended the Antoine method to make it applicable to solids by using the same methodology as the modified Grain method to convert a super-cooled liquid vapour pressure to a solid-phase vapour pressure.
- Modified Grain Method (described by Lyman, 1985): This method is a modification and significant improvement of the modified Watson method. It is applicable to solids, liquids and gases. In PFA’s opinion based on its broad applicability and generally good performance, it is among the best all-around vapour pressure estimation methods currently available.
- Mackay Method (described by Lyman, 1985): is validated only for certain chemical types and is not relevant to the present purpose.
MPBPWIN reports the vapour pressure estimate from all three methods. It then reports a "selected" vapour pressure, a recommended value. For liquids and gases, which the majority of the Reconsile substances are, the selected vapour pressure value is generally the average of the Antoine and the modified Grain estimates. For solids, the modified Grain estimate is generally the selected vapour pressure value. - GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.03 Pa
- Conclusions:
- A vapour pressure of 3.0E-02 Pa at 25°C has been obtained for the test substance using an accepted calculation method. The result is considered reliable.
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
The model is an adaption of the existing SRC model MPBPVP v1.42 which is a component of the EPIWIN Suite (EPIWIN 2009 and ref). The EPIWIN method uses three methods to predict vapour pressure, all of which are based on the program’s own prediction of boiling point, a measured BP from its experimental database, or a user-entered value:
Antoine Method (described by Lyman et al, 1990): developed for gases and liquids. MPBPVP has extended the Antoine method to make it applicable to solids by using the same methodology as the modified Grain method to convert a super-cooled liquid vapour pressure to a solid-phase vapour pressure.
Modified Grain Method (described by Lyman, 1985): This method is a modification and significant improvement of the modified Watson method. It is applicable to solids, liquids and gases. In PFA’s opinion based on its broad applicability and generally good performance, it is among the best all-around vapour pressure estimation methods currently available.
Mackay Method (described by Lyman, 1985): is validated only for certain chemical types and is not relevant to the present purpose.
MPBPWIN reports the vapour pressure estimate from all three methods. It then reports a "selected" vapour pressure, a recommended value. For liquids and gases, which the majority of the Reconsile substances are, the selected vapour pressure value is generally the average of the Antoine and the modified Grain estimates. For solids, the modified Grain estimate is generally the selected vapour pressure value. - GLP compliance:
- no
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- A vapour pressure of 6.8E-06 Pa at 25°C was obtained for the hydrolysis product using an appropriate calculation method. The result is considered reliable.
Referenceopen allclose all
Description of key information
N-[3-(triethoxysilyl)propyl]ethylenediamine: 3.0E-02 Pa at 25°C (QSAR)
N-[3-(trihydroxysilyl)propyl]ethylenediamine: 6.8E-06 Pa at 25°C (QSAR)
Ethanol: 7910 Pa at 25°C (measured)
Key value for chemical safety assessment
- Vapour pressure:
- 0.03 Pa
- at the temperature of:
- 25 °C
Additional information
A vapour pressure value of 3.0E-02 Pa at 25°C was predicted for the parent substance and 6.8E-06 Pa at 25°C for the hydrolysis product (N-(3-(trihydroxysilyl)propyl)ethylenediamine) using an appropriate calculation method. The vapour pressure of the parent is supported by a measured value of <5 hPa at 20°C.
The measured vapour pressure of ethanol is 7910 Pa at 25°C (Daubert, T E and Danner R P, 1985).
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