1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-iodopentane

• ChemBase编号: 21381
• 分子式: C5F11I
• 平均质量: 395.9404052
• 单一同位素质量: 395.88690842
• SMILES: C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
• InChIKey: KCEJJSGJNCSQFI-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-undecafluoro-5-iodopentane
• IUPAC传统名: pentane, undecafluoro-5-iodo-
• 别名: Perfluoropentyliodide; 1-Iodoperfluoropentane 97%

登记号

• CAS号: 638-79-9
• MDL号: MFCD08461629
• PubChem SID: 160984688
• PubChem CID: 69494

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.7371
• LogD (pH = 7.4): 4.7371
• Log P: 4.7371
• 摩尔折射率: 39.8479 cm^3
• 极化性: 15.879124 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

• 熔点: -50°C
• 沸点: 86-88°C; 94.4°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%