3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol

• ChemBase编号: 7257
• 分子式: C12H5F21O
• 平均质量: 564.1339672
• 单一同位素质量: 564.0005074
• SMILES: C(C(C(C(C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCC(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
• InChI: InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2
• InChIKey: FLXYIZWPNQYPIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol
• 别名: 1H,1H,2H,2H-全氟-1-十二醇; 1H,1H,2H,2H-Perfluoro-1-dodecanol; 2-(Perfluorodecyl)ethanol; 1H,1H,2H,2H-Perfluorododecan-1-ol 97%; 1H,1H,2H,2H-Perfluorododecan-1-ol

登记号

• CAS号: 865-86-1
• EC号: 212-748-1
• MDL号: MFCD00039545
• Beilstein号: 2029867
• PubChem SID: 160970564
• PubChem CID: 70083

理论计算性质

• Acid pKa: 15.763865
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.0126066
• LogD (pH = 7.4): 7.0126066
• Log P: 7.0126066
• 摩尔折射率: 60.1752 cm^3
• 极化性: 23.810972 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 90-95°C; 92-93°C; 95°C
• 沸点: 110-112°C/10mm; 145°C/10mm; 145°C/10mm
• 闪点: none°C

安全信息

• 保存注意事项: Flammable
• TSCA收录: true; 是

产品相关信息

• 纯度: 96%; 97%