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13252-13-6

13252-13-6 structural image
Product Name: PERFLUORO(2-METHYL-3-OXAHEXANOIC) ACID
Formula: C6HF11O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Vapor Pressure -1.49 ± 0.01 [log Psd at 298.15 K (Pa)]
Enthalpy of Sublimation 85.4 ± 3.2 [ΔsubHb (kJ/mol) at 296.1-311.2 K]
Collision Cross Section 127.46 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS]
Chemical Classes PFAS

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P310:Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 330.05 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 4
Exact Mass 329.97500367 g/mol
Monoisotopic Mass 329.97500367 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 383
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid is a perfluorinated compound that is 2-propoxypentanoic acid in which all 11 of the hydrogens attached to carbon atoms have been replaced by fluorine atoms. Used as an alternative to perfluorooctanoic acid in the fluoropolymer industry for years, its widespread environmental distribution, high bioaccumulation capability, and human exposure have caused great concern, particularly as its potential toxicity and health risk is still largely unknown. It is a monocarboxylic acid, a perfluorinated compound and an ether.