Octafluoropentanoic acid

Base Information

• Chemical Name: Octafluoropentanoic acid
• CAS No.: 376-72-7
• Molecular Formula: C5H2F8O2
• Molecular Weight: 246.057
• Hs Code.: 29159000
• European Community (EC) Number: 206-812-3
• DSSTox Substance ID: DTXSID50191038
• Nikkaji Number: J22.493F
• Wikidata: Q81985538
• Mol file: 376-72-7.mol

Synonyms:octafluoropentanoic acid

Chemical Property of Octafluoropentanoic acid

Chemical Property:

• Vapor Pressure: 1.35mmHg at 25°C
• Melting Point: °C
• Refractive Index: 1.319
• Boiling Point: 158.8 °C at 760 mmHg
• Flash Point: 49.9 °C
• PSA: 37.30000
• Density: 1.642 g/cm³
• LogP: 2.24200
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 245.99270460
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

99%, ^*data from raw suppliers

5H-Perfluoropentanoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45-20

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F
• Uses: 5h-Octafluoropentanoic Acid is used in preparation of Ihydroperfluorobutane.

Technology Process of Octafluoropentanoic acid

There total 7 articles about Octafluoropentanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.37%

2,2,3,3,4,4,5,5-octafluoropentan-1-ol (355-80-6) → 2,2,3,3,4,4,5,5-octafluorovaleric acid (376-72-7)

Guidance literature:

2,2,3,3,4,4,5,5-octafluoropentan-1-ol; With sodium tungstate; tetrabutylammomium bromide; dihydrogen peroxide; In water; at 85 - 90 ℃; for 8h;

With barium carbonate; In water; for 1h; Reagent/catalyst; Catalytic behavior;

Reference yield:

→ 2,2,3,3,4,4,5,5-octafluorovaleric acid (376-72-7)

Guidance literature:

With barium dihydroxide; at 280 ℃;

DOI:10.1021/ie50447a639

Reference yield:

2.2.3.3.4.4.5.5-Octafluor-6-oxo-heptansaeure-methylester (2837-24-3) → 2,2,3,3,4,4,5,5-octafluorovaleric acid (376-72-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9640003035

upstream raw materials:

2,2,3,3,4,4,5,5-octafluoropentan-1-ol

2,2,3,3,4,4,5,5-octafluoropentanoyl chloride

2.2.3.3.4.4.5.5-Octafluor-6-oxo-heptansaeure-methylester

perfluoroadipic acid

Downstream raw materials:

ethyl 5-Hperfluoropentanoate

1H,8H-perfluorooctane

5H-Octafluor-valerylbromid

5-Hydro-octafluor-valerylfluorid

Refernces

• 1、 Ignatowska, Jolanta,Shyshkov, Oleg,Zipplies, Tilman,Hintzer, Klaus,R?schenthaler, Gerd-Volker. "TEMPO mediated oxidation of fluorinated alcohols to carboxylic acids". experimental part. p. 35 - 40. Retrieved 2012/09/21.
• 2、 Matsuo, Keizo,Stockmayer, Walter H.. "Conformational energies of perfluoroalkanes. 5. Dipole moments of H(CF2)nH and H(CF2)nI". . p. 3307 - 3311. Retrieved 2007/10/02.