Perfluorohexanoic acid

Description

Perfluorohexanoic acid · CAS 307-24-4 · C6HF11O2. UNII ZP34Q2220R. Boiling Point: 157 °C; Vapor Pressure: 1.49 ± 0.06 [log Psd at 298.15 K (Pa)]; Dissociation Constants: pKa = -0.16.

Identification

CAS Registry Number	307-24-4
PubChem CID	67542
Molecular formula	C6HF11O2
IUPAC name	2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
UNII (FDA)	ZP34Q2220R

Computed Descriptors

Molecular Weight	314.05
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	4
Exact Mass	313.98008905
Monoisotopic Mass	313.98008905
Topological Polar Surface Area	37.3
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Boiling Point	157 °C
Vapor Pressure	1.49 ± 0.06 [log Psd at 298.15 K (Pa)]
Dissociation Constants	pKa = -0.16
Collision Cross Section	124.47 Ų [M-H-CO2]-
Collision Cross Section	195.94 Ų [2M-H]-

Physical description & handling notes

• Colorless liquid
• In water, 15,700 mg/L at ambient temperature
• Stable under recommended storage conditions.
• 68.5 ± 14.0 [ΔsubHb (kJ/mol) at 269.3-284.7 K]
• 125.1 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
• 199.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3031862]

GHS Hazard Classification

Reported hazard statements	H314 (100%), H318, H360, H373, H402

Documented Uses

• Protective coatings for fabrics and carpet, paper coatings, insecticide formulations, surfactants /Perfluorchemicals/
• Long-chain perfluoroalkanecarboxylic acids and their salts are surface-active chemicals (surfactants), which greatly reduce the surface tension (surface energy) of water, aqueous solutions, and organic liquids even at low concentrations. These acids (C6-C12) and derivatives are used as wetting, dispersing, emulsifying, and foaming agents. /Long-chain perfluoroalkanecarboxylic acids/
• non-polymer PFAS -> Laboratory Supplies -> Impregnation of genuine leather
• non-polymer PFAS -> Personal Care products and cosmetics -> BB/CC cream, foundation
• non-polymer PFAS -> Building and Construction -> Greenhouse
• non-polymer PFAS -> Personal Care products and cosmetics -> Concealer/corrector

Synonyms

Perfluorohexanoic acid; 307-24-4; Undecafluorohexanoic acid; Hexanoic acid, undecafluoro-; 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid; PFHxA; Hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-; DTXSID3031862; Undecafluoro-1-hexanoic acid; ZP34Q2220R; NSC-5213; DTXCID1011862; CHEBI:83492; APFHxA; undecafluorohexanoatato; RefChem:171662

Frequently Asked Questions

What are the CAS number and molecular formula of Perfluorohexanoic acid?

CAS 307-24-4; molecular formula C6HF11O2; molecular weight — g/mol.

What other names is Perfluorohexanoic acid known by?

Perfluorohexanoic acid, 307-24-4, Undecafluorohexanoic acid, Hexanoic acid, undecafluoro-, 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid, PFHxA.

Is Perfluorohexanoic acid classified as hazardous?

Hazard statements reported: H314, H318, H360, H373, H402.

What are the key physical properties of Perfluorohexanoic acid?

Boiling Point: 157 °C; Vapor Pressure: 1.49 ± 0.06 [log Psd at 298.15 K (Pa)]; Dissociation Constants: pKa = -0.16; Collision Cross Section: 124.47 Ų [M-H-CO2]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.