Registration Dossier
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EC number: 468-710-7 | CAS number: 754-12-1
- 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
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- 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
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- 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
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- Toxicological Summary
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- Specific investigations
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- Additional toxicological data

Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Reason / purpose for cross-reference:
- data waiving: supporting information
- Endpoint:
- hydrolysis
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Acceptable model on similar substance
- GLP compliance:
- no
- Estimation method (if used):
- USEPA (United States Environmental Protection Agency) HYDROWIN v1.67 (2000)
http://www.epa.gov/opptintr/exposure/ - pH:
- 8.3
- DT50:
- > 1 000 000 yr
Referenceopen allclose all
Appendix 1: Hydrowin v1.67 output
SMILES : C(F)(F)(F)C(F)C
CHEM :
MOL FOR: C3 H4 F4
MOL WT : 116.06
--------------------------- HYDROWIN v1.67 Results ---------------------------
R2
| X: -F (Leaving halogen in R1)
ALKYL HALIDE: R1-C-H R1: -CF3
| R2: -F
R3 R3: -CH3
Kb hydrolysis at atom # 5: 7.057E-009 L/mol-sec
Total Kb for pH > 8 at 25 deg C : 7.057E-009 L/mol-sec
Kb Half-Life at pH 8: 3.112E+006 years
Kb Half-Life at pH 7: 3.112E+007 years
The rate constant estimated for the ALKYL HALIDE DOES NOT include the neutral hydrolysis rate constant!!
For some alkyl halides, the neutral rate constant is the dominant hydrolysis rate at environmental pHs!
If the neutral rate constant is important, the HYDRO estimated rate will under-estimate the actual rate!
Description of key information
Key value for chemical safety assessment
Additional information
Alkanes and alkenes are types of organic functional groups that are generally resistant to hydrolysis (Harris JC and Hayes MJ (1990). Rate of hydrolysis. In: Handbook of Chemical Property estimation Methods: Environmental Behaviour of Organic Compounds. Lyman WJ, Reehl WF and Rosenblatt DH (eds.), American Chemical Society, Washington DC, USA.). A hydrolysis rate constant was estimated for a surrogate analogue (CF3-CHF-CH3) [421-48-7] using the alkyl halides QSAR within HYDROWIN v2. With an estimated half-live in the range 106 to 107 years, the hydrolysis rate of this molecule without the double bond, is expected to be negligible. The presence of the -CF=CH2group in HFO-1234yf, instead of the -CHFCH3group in [421-48-7] for which the calculation was done, is not expected to have a major influence on the hydrolysis rate. Therefore, based on this structure-activity relationship, hydrolysis is not expected to be a relevant degradation mechanism for this substance.
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