2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol

• ChemBase ID: 8100
• Molecular Formular: C10H3F19O
• Molecular Mass: 500.0998808
• Monoisotopic Mass: 499.9880509
• SMILES: FC(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(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/C10H3F19O/c11-2(12,1-30)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/h30H,1H2
• InChIKey: NIRPXSQCRWXHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol
• Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-decanol; 1H,1H-Perfluoro-1-decanol; 1H,1H-Perfluorodecan-1-ol 98%; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-decanol; 1H,1H-Perfluoro-1-decanol; 1H,1H-全氟-1-十醇; 1H,1H-全氟-1-正癸醇

Database IDs

• CAS Number: 307-37-9
• EC Number: 000-000-0
• MDL Number: MFCD00153234
• Beilstein Number: 1810012
• PubChem SID: 160971407; 24868299
• PubChem CID: 2733275

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.041661
• LogD (pH = 7.4): 6.0416584
• Log P: 6.041661
• Molar Refractivity: 51.0554 cm^3
• Polarizability: 20.33138 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 82-84°C; 83-90°C; 87-90 °C(lit.)
• Boiling Point: 192 °C/735 mmHg(lit.); 95°C/20mm; 95°C/20mm
• Flash Point: none°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CF3(CF2)8CH2OH

DETAILS

Sigma Aldrich - 446831

Packaging
5 g in glass bottle