335-67-1
Product Name:
Pentadecafluorooctanoic acid
Formula:
C8HF15O2
Synonyms:
PFOA;Perfluorooctanoic acid;Pentadecafluorooctanoic acid;Perfluorocaprylic acid;Perfluorocaprylic acid solution
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid with pungent odor; [ICSC] White or cream crystalline solid; [MSDSonline] |
|---|---|
| Color/Form | White to off-white powder |
| Boiling Point | 192 °C |
| Melting Point | 54.3 °C |
| Solubility | When heated to decomposition it emits toxic vapors of F(-). |
| Density | 1.792 g/mL at 20 °C |
| Vapor Pressure | 0.15 [mmHg] |
| LogP | 6.3 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of /flourine/. |
| Surface Tension | 15.2 dynes/cm |
| Enthalpy of Sublimation | 86.0 ± 1.4 [ΔsubHb (kJ/mol) at 273.4-307.4 K] |
| Dissociation Constants | pKa = 1.30 |
| Collision Cross Section | 139.5 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
| Kovats Retention Index | 1045 |
| Other Experimental Properties | BP: 189 °C at 736 mm Hg |
| Chemical Classes | PFAS |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation H351:Carcinogenicity H362:Reproductive toxicity, effects on or via lactation H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 414.07 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 6 |
| Exact Mass | 413.9737017 g/mol |
| Monoisotopic Mass | 413.9737017 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Perfluorooctanoic acid is a fluoroalkanoic acid that is perfluorinated octanoic acid. It has a role as an environmental contaminant, a xenobiotic, a carcinogenic agent, a surfactant and an endocrine disruptor. It is functionally related to a perfluorooctane and an octanoic acid.