4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene

• ChemBase编号: 99447
• 分子式: C9H5F13
• 平均质量: 360.1152416
• 单一同位素质量: 360.01836702
• SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(F)C(F)(C(F)(F)/C=C/C)F
• Canonical SMILES: C/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3
• InChIKey: ZYHWHNDIVSRFMS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
• 别名: 1H, 1H,1H,2H,3H-Perfluoronon-2-ene 97%

登记号

• CAS号: 80793-20-0
• MDL号: MFCD00156022
• PubChem SID: 162085712
• PubChem CID: 5708696

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.74772
• LogD (pH = 7.4): 5.74772
• Log P: 5.74772
• 摩尔折射率: 45.5953 cm^3
• 极化性: 16.726591 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 66°C/83mm

安全信息

• 保存注意事项: Irritant