nonadecafluorodecanoic acid

• ChemBase ID: 8606
• Molecular Formular: C10HF19O2
• Molecular Mass: 514.0834008
• Monoisotopic Mass: 513.96731545
• SMILES: C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
• InChIKey: PCIUEQPBYFRTEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecafluorodecanoic acid
• IUPAC Traditional name: perfluorodecanoic acid
• Synonyms: Nonadecafluorodecanoic acid; Nonadecafluorodecanoic acid; Perfluorocapric acid; Perfluorodecanoic acid 95%; Perfluorodecanoic acid 98%; Nonadecafluorodecanoic acid; Nonadecafluorocapric acid; Perfluorodecanoic acid; Perfluorodecanoic acid; 全氟癸酸; 十九氟癸酸; 十九氟癸酸; 全氟癸酸

Database IDs

• CAS Number: 335-76-2
• EC Number: 206-400-3
• MDL Number: MFCD00004175
• Beilstein Number: 1810811
• PubChem SID: 160971913; 24850646; 24887160
• PubChem CID: 9555

CALCULATED PROPERTIES

• Acid pKa: -5.200439
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.984657
• LogD (pH = 7.4): 2.984657
• Log P: 6.514125
• Molar Refractivity: 50.9979 cm^3
• Polarizability: 20.550623 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 77-81 °C; 77-81 °C(lit.); 77-82°C; 77-85°C; 83-85°C
• Boiling Point: 218 °C/740 mmHg(lit.); 218°C; 218°C/740mm; 218°C
• Vapor Pressure: ~10 mmHg ( 0 °C)

Safety Information

• Storage Warning: Corrosive/Toxic/Irritant; TOXIC
• RTECS: HD9900000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2923
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 3; III
• Risk Statements: 25-34; 25-36/37/38
• Safety Statements: 26-36/37/39-45; 26-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (T); 97%; 98%
• Grade: purum
• Linear Formula: CF3(CF2)8CO2H

DETAILS

Sigma Aldrich - 177741

Packaging
5, 25 g in glass bottle