azanyliumylidene pentadecafluorooctanoate

• ChemBase编号: 93458
• 分子式: C8F15NO2
• 平均质量: 427.067148
• 单一同位素质量: 426.96895155
• SMILES: FC(F)(C(F)(C(C(C(=O)[O-])(F)F)(F)F)F)C(F)(F)C(C(F)(F)F)(F)F.[N+]
• Canonical SMILES: [O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[N+]
• InChI: InChI=1S/C8HF15O2.N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
• InChIKey: GTQPCTPYZMBDST-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: azanyliumylidene pentadecafluorooctanoate
• IUPAC传统名: azanyliumylidene pentadecafluorooctanoate
• 别名: Perfluorooctanoic acid, ammonium salt; Ammonium perfluorooctanoate 98%; n-Perfluorooctanoic acid, ammonium salt 95%; n-Perfluorooctanoic acid, ammonium salt 31% aqueous solution

登记号

• CAS号: 3825-26-1
• MDL号: MFCD00042599
• PubChem SID: 162080143
• PubChem CID: 71299602

理论计算性质

• Acid pKa: -4.198617
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5833719
• LogD (pH = 7.4): 1.5833716
• Log P: 5.112839
• 摩尔折射率: 52.499 cm^3
• 极化性: 16.596481 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 138-142(dec.)°C
• 闪点: none°C
• 密度: 1.163

安全信息

• 保存注意事项: Irritant; Toxic/Harmful/Store under Argon

详细说明

Apollo Scientific Ltd - PC0824

Very active fluorosurfactant with high stability. Mixture of linear and branched isomers

Apollo Scientific Ltd - PC5386

Very active fluorosurfactant with high stability