2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol

• ChemBase编号: 6778
• 分子式: C13H4F24O
• 平均质量: 632.1319368
• 单一同位素质量: 631.98789203
• SMILES: C(C(C(C(C(C(C(C(C(C(C(C(CO)(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: OCC(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
• InChI: InChI=1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
• InChIKey: LNNWSUTUIVJKDJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
• 别名: 1H,1H,13H-Perfluorotridecan-1-ol; 1H,1H,13H-Perfluorotridecan-1-ol 97%

登记号

• CAS号: 423-72-3
• MDL号: MFCD00155920
• PubChem SID: 160970085
• PubChem CID: 529307

理论计算性质

• Acid pKa: 12.621079
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.6548285
• LogD (pH = 7.4): 7.6548257
• Log P: 7.6548285
• 摩尔折射率: 64.1697 cm^3
• 极化性: 25.895443 Å^3
• 极化表面积: 20.23 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: 129-130°C
• 沸点: 129-130°C
• 闪点: none°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: true

产品相关信息

• 纯度: 95%