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EC number: 614-396-3 | CAS number: 68298-12-4
- 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
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- assessment report
Reference
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2002-02-18 to 2002-02-27
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Specific details on test material used for the study:
- - Physical state: White Crystals
- Analytical purity: 97.25%
- Storage condition of test material: ambient - Key result
- Water solubility:
- 359 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 4 500 mg/L
- Incubation duration:
- 3 d
- Temp.:
- 24 °C
- Remarks on result:
- other: % RSD = 5.6%, pH not determined
- Details on results:
- Water solubility reported as µg/mL and corrected for purity.
The average measured solubility for day1 was 357 µg/mL with %RSD of 0.9% (n=12); the average measured solubility for day 2 was 340 µg/mL with %RSD of 3.1% (n=12); the average measured solubility for day 3 was 380 µg/mL with %RSD of 5.5% (n=12). An overall average value of 359 µg/mL was reported. The overall %RSD was 5.6% (n=36). - Conclusions:
- Under the condition of the study, the water solubility of MeFBSA is 359 mg/L at 24-25 °C.
- Executive summary:
The water solubility of MeFBSA was determined using a shake flask method according to OPPTS
830.7840 “Water Solubility: Column Elution Method; Shake Flask Method” and OECD Guideline for
Testing of Chemicals, Test No. 105 “Water Solubility”.Triplicate samples were incubated for three time points at approximately 30°C with a shaker setting of
150 revolutions per minute (RPM). Test vessels were pulled at each time intervals and samples
were stored for overnight to equilibrate to ambient temperature. The test system vials were centrifuged and four aliquot samples were taken. The samples were diluted and analyzed by HPLC/MS.Under conditions of this study, the average measured water solubility of MeFBSA was 359 mg/L (5.6% RSD).
This is a guideline study conducted under GLP compliance. Therefore, it is considered reliable without
restriction.
Table 1. Water solubility results of MeFBSA
Solubility Conc. (µg/mL) | Solubility Conc. (µg/mL) | Solubility Conc. (µg/mL) | Solubility Conc. (µg/mL) | |
Samples | Time Point 1 (One Day) | Time Point 2 (Two Days) | Time Point 3 (Three Days) | Inter-day Average |
Vial 1, rep 1 | 358 | 341 | 359 |
|
Vial 1, rep 2 | 363 | 345 | 356 |
|
Vial 1, rep 3 | 353 | 359 | 361 |
|
Vial 1, rep 4 | 361 | 341 | 365 |
|
Vial 1 Average | 359 | 346 | 360 |
|
Vial 1 RSD% | 1.2% | 2.5% | 1.0% |
|
|
|
|
| |
Vial 2, rep 1 | 401 | 328 | 354 |
|
Vial 2, rep 2 | 332 | 314 | 391 |
|
Vial 2, rep 3 | 337 | 348 | 355 |
|
Vial 2, rep 4 | 344 | 322 | 417 |
|
Vial 2 Average | 353 | 328 | 379 |
|
Vial 2 RSD% | 9.0% | 4.5% | 8.1% |
|
|
|
|
| |
Vial 3, rep 1 | 369 | 347 | 378 |
|
Vial 3, rep 2 | 365 | 342 | 371 |
|
Vial 3, rep 3 | 352 | 351 | 448 |
|
Vial 3, rep 4 | 351 | 344 | 412 |
|
Vial 3 Average | 359 | 346 | 402 |
|
Vial 3 RSD% | 2.5% | 1.1% | 8.8% |
|
|
|
|
| |
Intra-day Average | 357 | 340 | 380 |
|
Intra-day %RSD | 0.9% | 3.1% | 5.5% |
|
Inter-day Average |
|
|
| 359 |
Inter-day %RSD |
|
|
| 5.6% |
- Reason / purpose for cross-reference:
- assessment report
Reference
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Qualifier:
- no guideline available
- Temp.:
- 20 °C
- Vapour pressure:
- 0.03 mm Hg
- Conclusions:
- The vapor pressure of MeFBSA at 20 °C is 0.03 mmHg.
- Executive summary:
The study does not report a guideline followed. Therefore, the study is not assignable.
Data source
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: calculation based on reported experimental data
- Principles of method if other than guideline:
- Henry's Law Constant estimated by taking the ratio of vapor pressure to water solubility.
Test material
- Reference substance name:
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
- EC Number:
- 614-396-3
- Cas Number:
- 68298-12-4
- Molecular formula:
- C5H4F9NO2S
- IUPAC Name:
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Constituent 1
Results and discussion
Henry's Law constant H
- Key result
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 760 mm Hg
Any other information on results incl. tables
Henry's Law constant is estimated as HLC = vapour pressure / water solubility
HLC = [0.03 mmHg * (1 atm / 760 mmHg)] / [359 mg/L * (1000 L/m3) * 10E-3 g / 313.14 MW * ug)]
HLC = 3.4E-05
Applicant's summary and conclusion
- Conclusions:
- The calculated Henry's Law Constant was determined to be 3.4E-05 atm*m³/mol at 25 °C based on available experimental vapor pressure and water solubility.
- Executive summary:
The Henry’s Law constant (HLC) for MeFBSA was calculated from experimental water solubility and extrapolated vapor pressure. The resulting HLC is 3.4E-05 atm m³/mol at 25 °C. The calculation method is acceptable, but the result is based in part on secondary literature data. Therefore, reliability of the result cannot be assigned.
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