2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl prop-2-enoate

• ChemBase编号: 7703
• 分子式: C12H6F16O2
• 平均质量: 486.1492912
• 单一同位素质量: 486.01123095
• SMILES: C(C(C(C(C(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCC(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/C12H6F16O2/c1-2-4(29)30-3-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h2,5H,1,3H2
• InChIKey: QXDKTLFTMZTCKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl prop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl prop-2-enoate
• 别名: 1H,1H,9H-Perfluorononyl acrylate 97%; 1H,1H,9H-Hexadecafluorononyl acrylate

登记号

• CAS号: 4180-26-1
• MDL号: MFCD00078281
• PubChem SID: 160971010
• PubChem CID: 107516

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.2830095
• LogD (pH = 7.4): 6.2830095
• Log P: 6.2830095
• 摩尔折射率: 59.2969 cm^3
• 极化性: 23.140911 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 75°C/1mm
• 密度: 1.646
• 折射率: 1.337; 1.3490

安全信息

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

产品相关信息

• 纯度: 97%