dodecafluoropentane

• ChemBase编号: 98822
• 分子式: C5F12
• 平均质量: 288.0343384
• 单一同位素质量: 287.98083864
• SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
• InChIKey: NJCBUSHGCBERSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dodecafluoropentane
• IUPAC传统名: perfluoropentane
• 别名: Dodecafluoropentane; Perfluoropentane 97%; Perfluoropentane 99%

登记号

• CAS号: 678-26-2
• MDL号: MFCD00042081
• PubChem SID: 162085184
• PubChem CID: 12675

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.1836457
• LogD (pH = 7.4): 4.1836457
• Log P: 4.1836457
• 摩尔折射率: 26.8732 cm^3
• 极化性: 10.541484 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: -120°C
• 沸点: 29°C
• 密度: 1.664
• 折射率: 1.2412

安全信息

• 保存注意事项: Irritant/Keep Cold

详细说明

Apollo Scientific Ltd - PC6182

85% n-isomer

Apollo Scientific Ltd - PC6564

Cylinder