octacosafluorotridecane

• ChemBase编号: 9810
• 分子式: C13F28
• 平均质量: 688.0943896
• 单一同位素质量: 687.95529016
• SMILES: C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)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(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C13F28/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41
• InChIKey: XJRHWVMSUNRDCA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: octacosafluorotridecane
• IUPAC传统名: octacosafluorotridecane
• 别名: Perfluorotridecane 98%; Perfluorotridecane

登记号

• CAS号: 376-03-4
• MDL号: MFCD00236715
• PubChem SID: 160973117
• PubChem CID: 2776382

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.788787
• LogD (pH = 7.4): 9.788787
• Log P: 9.788787
• 摩尔折射率: 64.2172 cm^3
• 极化性: 25.883804 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 88-91°C
• 沸点: 193-196°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 98%