2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoic acid

• ChemBase编号: 99288
• 分子式: C8H2F14O2
• 平均质量: 396.0779248
• 单一同位素质量: 395.98312438
• SMILES: FC(C(F)F)(F)C(C(F)(F)C(F)(F)C(C(C(=O)O)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H2F14O2/c9-1(10)3(11,12)5(15,16)7(19,20)8(21,22)6(17,18)4(13,14)2(23)24/h1H,(H,23,24)
• InChIKey: AEBAYKKLSQLBDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoic acid
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoic acid
• 别名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluorooctanoic acid; 8H-Perfluorooctanoic acid 97%

登记号

• CAS号: 13973-14-3
• PubChem SID: 162085569
• PubChem CID: 14922999

理论计算性质

• Acid pKa: -3.0831993
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.094615
• LogD (pH = 7.4): 1.0946112
• Log P: 4.6240788
• 摩尔折射率: 40.7722 cm^3
• 极化性: 16.53098 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 41°C
• 闪点: none°C

安全信息

• 保存注意事项: Irritant