1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane

• ChemBase编号: 100852
• 分子式: C5HF11
• 平均质量: 270.0438752
• 单一同位素质量: 269.99026045
• SMILES: C(C(F)(C(C(F)(F)C(F)(F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HF11/c6-1(7)2(8,9)3(10,11)4(12,13)5(14,15)16/h1H
• InChIKey: WXFBZGUXZMEPIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
• 别名: 1H-Perfluoropentane 98%

登记号

• CAS号: 375-61-1
• MDL号: MFCD08458172
• PubChem SID: 162086965
• PubChem CID: 9816874

理论计算性质

• Acid pKa: 19.78464
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.694885
• LogD (pH = 7.4): 3.694885
• Log P: 3.694885
• 摩尔折射率: 25.9835 cm^3
• 极化性: 10.337306 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 42°C

安全信息

• 保存注意事项: Irritant