3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-1-ol

• ChemBase编号: 98783
• 分子式: C11H5F19O
• 平均质量: 514.1264608
• 单一同位素质量: 514.00370096
• SMILES: FC(C(F)(C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H5F19O/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h31H,1-2H2
• InChIKey: RRPJMPARBFYNMD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-1-ol
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-1-ol
• 别名: 2-(Perfluoro-7-methyloctyl)ethanol; 1H,1H,2H,2H-Perfluoro-9-methyldecan-1-ol 98%

登记号

• CAS号: 31200-98-3
• MDL号: MFCD00198022
• PubChem SID: 162085148
• PubChem CID: 2776203

理论计算性质

• Acid pKa: 15.763865
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.0503
• LogD (pH = 7.4): 6.0503
• Log P: 6.0503
• 摩尔折射率: 55.7813 cm^3
• 极化性: 21.898708 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 100°C/7mm

安全信息

• 保存注意事项: Flammable