1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

• ChemBase编号: 8258
• 分子式: C8H2F16
• 平均质量: 402.0759312
• 单一同位素质量: 401.99010158
• SMILES: C(C(C(C(C(C(C(C(F)F)(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/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H
• InChIKey: JCRVQXKRULILSR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• 别名: 1H,8H-Perfluorooctane

登记号

• CAS号: 307-99-3
• MDL号: MFCD00155850
• PubChem SID: 160971565
• PubChem CID: 2776271

理论计算性质

• Acid pKa: 19.485748
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.3080525
• LogD (pH = 7.4): 5.3080525
• Log P: 5.3080525
• 摩尔折射率: 39.0978 cm^3
• 极化性: 15.895516 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 134-138°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%