1,5-Bis(2,3-epoxypropoxy)-2,2,3,3,4,4-hexafluoropentane
Basic information
- CAS
4798-39-4- Standard SMILES
FC(F)(COCC1CO1)C(F)(F)C(F)(F)COCC1CO1- InChIKey
OIGSRLUDJHIAPI-UHFFFAOYSA-N- Molecular formula
- C11H14F6O4
- Average molar mass
- 324.22 g/mol
- Monoisotopic mass
- 324.0796279
Names & identifiers
- Preferred name
- 1,5-Bis(2,3-epoxypropoxy)-2,2,3,3,4,4-hexafluoropentane
- IUPAC
- 2-[[2,2,3,3,4,4-hexafluoro-5-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane
- English name
- 1,5-bis(2,3-epoxypropoxy)-2,2,3,3,4,4-hexafluoropentane
- Molecular formula
- C11H14F6O4
- Molecular weight
- 324.22
Names & synonyms
4798-39-41,5-Bis(2,3-epoxypropoxy)-2,2,3,3,4,4-hexafluoropentane2,2'-[(2,2,3,3,4,4-Hexafluoropentane-1,5-diyl)bis(oxymethylene)]bis(oxirane)EINECS 225-354-5SCHEMBL16808766DTXSID50896612NS000466402,2'-[(2,2,3,3,4,4-Hexafluoro-1,5-pentanediyl)bis(oxymethylene)]bisoxirane2,2'-(2,2,3,3,4,4-Hexafluoro-1,5-pentanediyl)bis(oxymethylene)bis(oxirane)Oxirane, 2,2'-[(2,2,3,3,4,4-hexafluoro-1,5-pentanediyl)bis(oxymethylene)]bis-
Database identifiers
- CAS
4798-39-4- PubChem CID
- 107340
- DTXSID
DTXSID50896612- EC Number
- 225-354-5
- Nikkaji
- J262.462A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 341.2 · 341.2±42.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2,2'-[(2,2,3,3,4,4-Hexafluoropentane-1,5-diyl)bis(oxymethylene)]bis(oxirane) (4798-39-4)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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