methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate

• ChemBase编号: 9472
• 分子式: C13H3F23O2
• 平均质量: 628.1249936
• 单一同位素质量: 627.9765784
• SMILES: FC(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(=O)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
• InChI: InChI=1S/C13H3F23O2/c1-38-2(37)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1H3
• InChIKey: ABNZIVVYHQYSLI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
• IUPAC传统名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
• 别名: 全氟十二烷酸甲酯 96%; Methyl perfluorododecanoate; Perfluorododecanoic acid methyl ester; Methyl perfluorododecanoate; Methyl perfluorododecanoate 96%

登记号

• CAS号: 56554-52-0
• MDL号: MFCD00236616
• PubChem SID: 160972779
• PubChem CID: 547885

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.061304
• LogD (pH = 7.4): 8.061304
• Log P: 8.061304
• 摩尔折射率: 65.103 cm^3
• 极化性: 26.105253 Å^3
• 极化表面积: 26.3 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: 54-56°C; 54-56°C
• 密度: 1.66; 1.660

安全信息

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

产品相关信息

• 纯度: 96%