11-Chloroperfluoroundecanoic acid
Basic information
- CAS
2823-49-6- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl- InChIKey
ACWJDDIKDCUGLO-UHFFFAOYSA-N- Molecular formula
- C11HClF20O2
- Average molar mass
- 580.54 g/mol
- Monoisotopic mass
- 579.9345702
Names & identifiers
- Preferred name
- 11-Chloroperfluoroundecanoic acid
- IUPAC
- 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid
- English name
- 11-Chloroperfluoroundecanoic acid
- Molecular formula
- C11HClF20O2
- Molecular weight
- 580.55
Names & synonyms
11-Chloroperfluoroundecanoic acid2823-49-611-Chloro-Perfluoroundecanoic acid11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acidClPFLCAs_i n=10C11HClF20O211-ChloroperfluoroundecanoicacidDTXSID10892918ACWJDDIKDCUGLO-UHFFFAOYSA-NMFCD16620562AKOS007930339NS00074678
Show more names
11-Chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoicacidUndecanoic acid, 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-undecanoic acid
Database identifiers
- CAS
2823-49-6- PubChem CID
- 56587765
- DTXSID
DTXSID10892918
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 800
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS (Cl-substituted perfluoroalkyl (linear) carboyxlic acids_i, n=10)
Physicochemical properties
- Boiling point
- 272.7 · 272.7±35.0 °C(Predicted)
- Density
- 1.783 · 1.783±0.06 g/cm3(Predicted)
- pka
- 0.52 · 0.52±0.10(Predicted)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (Cl-substituted perfluoroalkyl (linear) carboyxlic acids_i, n=10)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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