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EC number: 224-339-0 | CAS number: 4316-74-9
- 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
Henry's Law constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- The estimation by calculation is based on estimations of the bonds using EPI Suite, Henrywin v3.20.
- Principles of method if other than guideline:
- The estimation by calculation is based on estimations of the bonds using Henrywin v3.20
- Specific details on test material used for the study:
- Calculation is based on the structure of N-methyltaurinate
- Name of test material (as cited in study report): Ethanesulfonic acid, 2- (methylamino)-, monosodium salt - H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
- Conclusions:
- According to the bond estimation by EPI Suite, the Henry's Law Constant for sodium N-methyltaurinate is 0.000000384 Pa m³/mol. This Henry's Law constant indicates that sodium N-methyltaurinate is expected to hardly volatilize from water surfaces.
- Executive summary:
According to the bond estimation by EPI Suite, the Henry's Law Constant for sodium N-methyltaurinate is 3.84E-7 Pa m³/mol. comparable to 3.79E-12 atm m³/mol. By predicting the Henry's Law Constant from group estimation, the calculation failed. Thus, we consider the bond estimation to provide a reasonable approximation for the Henry's Law Constant. This low value for the Henry's Law constant indicates that sodium N-methyltaurinate is expected to hardly volatilize from water surfaces.
Nevertheless, the EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
Reference
Class | Num | Bond contribution description | Comment | Value |
Hydrogen | 7 | 7 Hydrogen to Carbon (aliphatic) Bonds | -0.8377 | |
Hydrogen | 1 | 1 Hydrogen to Nitrogen Bonds | 1.2835 | |
Fragment | 1 | 1 C-C | 0.1163 | |
Fragment | 2 | 2 C-N | 2.6020 | |
Fragment | 1 | 1 C-S | 1.1056 | |
Fragment | 1 | 1 O-S | estimate | 0.2100 |
Fragment | 2 | 2 O=S (sulfone-type) | estimate | 2.1000 |
Fragment | 1 | 1 O-Na | estimate | 3.2300 |
Result | bond estimation method for Log Kwa | total | 9.810 |
Description of key information
The Henry's Law Constant predicted by the bond estimation is 3.84E-7 Pa m³/mol.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
Additional information
According to the bond estimation by EPI Suite, the Henry's Law Constant for sodium N-methyltaurinate is 3.84E-7 Pa m³/mol. comparable to 3.79E-12 atm m³/mol. By predicting the Henry's Law Constant from group estimation, the calculation failed. Thus, we consider the bond estimation to provide a reasonable approximation for the Henry's Law Constant. This low value for the Henry's Law constant indicates that sodium N-methyltaurinate is expected to hardly volatilize from water surfaces.
Nevertheless, the EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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