ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoate

• ChemBase编号: 9424
• 分子式: C11H6F16O2
• 平均质量: 474.1385912
• 单一同位素质量: 474.01123095
• SMILES: C(C(C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(C(F)F)(F)F
• Canonical SMILES: CCOC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H6F16O2/c1-2-29-4(28)6(16,17)8(20,21)10(24,25)11(26,27)9(22,23)7(18,19)5(14,15)3(12)13/h3H,2H2,1H3
• InChIKey: HRSRZMSDVRJBEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoate
• IUPAC传统名: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoate
• 别名: Ethyl 9H-perfluorononanoate; Ethyl 9H-perfluorononanoate 97%

登记号

• CAS号: 1799-47-9
• MDL号: MFCD00153152
• PubChem SID: 160972731
• PubChem CID: 2737219

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.8274236
• LogD (pH = 7.4): 5.8274236
• Log P: 5.8274236
• 摩尔折射率: 54.9579 cm^3
• 极化性: 21.78408 Å^3
• 极化表面积: 26.3 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: 112°C/40mm
• 折射率: 1.32; 1.3200

安全信息

• 保存注意事项: Flammable; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%