(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol

• ChemBase编号: 12103
• 分子式: C19H21F17O
• 平均质量: 588.3422944
• 单一同位素质量: 588.13209503
• SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(/C=C/CCCCCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCCCC/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
• InChI: InChI=1S/C19H21F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,10,37H,1-7,9,11H2/b10-8+
• InChIKey: MUCVGEGAZDOIDJ-CSKARUKUSA-N

名称和登记号

名称

• IUPAC标准名: (10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol; 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol
• IUPAC传统名: (10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol; 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol
• 别名: 11-(Perfluoro-n-octyl)undec-10-en-1-ol; 11-(Perfluoro-n-octyl)undec-10-en-1-ol 97%

登记号

• CAS号: 85857-16-5
• MDL号: MFCD00236713
• PubChem SID: 160975410
• PubChem CID: 5708700

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 9.268876
• LogD (pH = 7.4): 9.268876
• Log P: 9.268876
• 摩尔折射率: 93.668 cm^3
• 极化性: 34.517174 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 157°C/3mm
• 密度: 1.417
• 折射率: 1.37; 1.370

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%