2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol

• ChemBase ID: 6778
• Molecular Formular: C13H4F24O
• Molecular Mass: 632.1319368
• Monoisotopic Mass: 631.98789203
• SMILES: C(C(C(C(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)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(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)F)(F)F)(F)F
• InChI: InChI=1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
• InChIKey: LNNWSUTUIVJKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
• Synonyms: 1H,1H,13H-Perfluorotridecan-1-ol; 1H,1H,13H-Perfluorotridecan-1-ol 97%

Database IDs

• CAS Number: 423-72-3
• MDL Number: MFCD00155920
• PubChem SID: 160970085
• PubChem CID: 529307

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.6548285
• LogD (pH = 7.4): 7.6548257
• Log P: 7.6548285
• Molar Refractivity: 64.1697 cm^3
• Polarizability: 25.895443 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 129-130°C
• Boiling Point: 129-130°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: true

Product Information

• Purity: 95%