hexadecafluorooct-1-ene

• ChemBase编号: 12095
• 分子式: C8F16
• 平均质量: 400.0600512
• 单一同位素质量: 399.97445152
• SMILES: C(=C(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
• InChI: InChI=1S/C8F16/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
• InChIKey: YCBPKOZNGFQMPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexadecafluorooct-1-ene
• IUPAC传统名: hexadecafluorooct-1-ene
• 别名: Perfluorooctene-1; Perfluorooct-1-ene

登记号

• CAS号: 559-14-8
• MDL号: MFCD00236708
• PubChem SID: 160975402
• PubChem CID: 2782409

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.3156548
• LogD (pH = 7.4): 5.3156548
• Log P: 5.3156548
• 摩尔折射率: 51.1792 cm^3
• 极化性: 15.671421 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 105°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: 95%