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

• ChemBase编号: 8843
• 分子式: C10H5F17
• 平均质量: 448.1195544
• 单一同位素质量: 448.0119799
• SMILES: FC(C(C(C(C(C(C(C(CC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H2,1H3
• InChIKey: JNAIMEWMJYVGEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
• 别名: (Perfluoro-n-octyl)ethane; 1H,1H,1H,2H,2H-Perfluorodecane; (Perfluoro-n-octyl)ethane 97%

登记号

• CAS号: 77117-48-7
• MDL号: MFCD00236711
• PubChem SID: 160972150
• PubChem CID: 53588

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.681749
• LogD (pH = 7.4): 6.681749
• Log P: 6.681749
• 摩尔折射率: 49.4781 cm^3
• 极化性: 19.203718 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 77°C/50mm
• 密度: 1.654
• 折射率: 1.3; 1.300

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%