5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecan-1-ol

• ChemBase编号: 99875
• 分子式: C10H9F13O
• 平均质量: 392.1571016
• 单一同位素质量: 392.04458177
• SMILES: OCCCCC(F)(C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)F
• Canonical SMILES: OCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H9F13O/c11-5(12,3-1-2-4-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2
• InChIKey: HJYIVOYQMVJCSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecan-1-ol
• IUPAC传统名: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecan-1-ol
• 别名: 1H,1H,2H,2H,3H,3H,4H,4H-Perfluorodecan-1-ol

登记号

• MDL号: MFCD09864675
• PubChem SID: 162086122
• PubChem CID: 15415177

理论计算性质

• Acid pKa: 16.843815
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.7329226
• LogD (pH = 7.4): 4.7329226
• Log P: 4.7329226
• 摩尔折射率: 51.2728 cm^3
• 极化性: 19.382446 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: true

分子性质

安全信息

• 保存注意事项: Flammable