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EC number: 246-680-4 | CAS number: 25155-30-0
- 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:
- weight of evidence
- Study period:
- 2011
- 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
- Justification for type of information:
- QSAR prediction:Well recognised QSAR considered reliable by OECD.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR model
- Principles of method if other than guideline:
- Using the Henry WIN v3.20 QSAR model, HENRYs LAW CONSTANT at 25 deg C was established.
- GLP compliance:
- no
- Remarks:
- not applicable. QSAR model
- H:
- 0.006 Pa m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 101 325 Pa
- Remarks on result:
- other: HENRYs LAW CONSTANT at 25 deg C = 6.29E-008 atm-m3/mole= 2.57E-006 unitless= 6.38E-003 Pa-m3/mole
- Conclusions:
- The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 6.29E-008 atm-m3/mole (6.38E-003 Pa-m3/mole , which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency). - Executive summary:
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 6.29E-008 atm-m3/mole (6.38E-003 Pa-m3/mole , which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Reference
--------------------------- HENRYWIN v3.20 Results --------------------------
CLASS | BOND CONTRIBUTION DESCRIPTION | COMMENT | VALUE
----------+---------------------------------------------+---------+----------
HYDROGEN | 25 Hydrogen to Carbon (aliphatic) Bonds | | -2.9919
HYDROGEN | 4 Hydrogen to Carbon (aromatic) Bonds | | -0.6172
FRAGMENT | 11 C-C | | 1.2793
FRAGMENT | 1 C-Car | | 0.1619
FRAGMENT | 6 Car-Car | | 1.5828
FRAGMENT | 1 Car-S | | 0.6345
FRAGMENT | 1 O-S | ESTIMATE| 0.2100
FRAGMENT | 2 O=S (sulfone-type) | ESTIMATE| 2.1000
FRAGMENT | 1 O-Na | ESTIMATE| 3.2300
----------+---------------------------------------------+---------+----------
RESULT | BOND ESTIMATION METHOD for LWAPC VALUE | TOTAL | 5.590
HENRYs LAW CONSTANT at 25 deg C = 6.29E-008 atm-m3/mole
= 2.57E-006 unitless
= 6.38E-003 Pa-m3/mole
Description of key information
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 6.29E-008 atm-m3/mole (6.38E-003 Pa-m3/mole , which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.006
- at the temperature of:
- 25 °C
Additional information
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 6.29E-008 atm-m3/mole (6.38E-003 Pa-m3/mole , which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
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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