2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octan-1-ol

• ChemBase编号: 8113
• 分子式: C10H3F19O
• 平均质量: 500.0998808
• 单一同位素质量: 499.9880509
• SMILES: C(CO)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• InChI: InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h30H,1H2
• InChIKey: ZVOWIXGGKDLFPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
• IUPAC传统名: 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
• 别名: 1H,1H-Perfluoro-3,7-dimethyl-1-octanol; 1H,1H-Perfluoro(3,7-dimethyloctan-1-ol)

登记号

• CAS号: 232587-50-7
• MDL号: MFCD01320739
• PubChem SID: 160971420
• PubChem CID: 2776097

理论计算性质

• Acid pKa: 12.703864
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.5183334
• LogD (pH = 7.4): 5.5183315
• Log P: 5.5183334
• 摩尔折射率: 51.6036 cm^3
• 极化性: 20.335684 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 90°C/0.1mm

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%

详细说明

Apollo Scientific Ltd - PC1218

Liquid at room temperature