nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

• ChemBase编号: 15287
• 分子式: C10F18O3
• 平均质量: 510.0764576
• 单一同位素质量: 509.95600182
• SMILES: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F18O3/c11-3(12,5(15,16)7(19,20)9(23,24)25)1(29)31-2(30)4(13,14)6(17,18)8(21,22)10(26,27)28
• InChIKey: YHNMNWOUFKIZLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• IUPAC传统名: nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• 别名: Perfluoropentanoic anhydride

登记号

• CAS号: 308-28-1
• MDL号: MFCD06248659
• PubChem SID: 160978594
• PubChem CID: 2769668

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.155994
• LogD (pH = 7.4): 6.155994
• Log P: 6.155994
• 摩尔折射率: 52.1104 cm^3
• 极化性: 20.871147 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 146°C

安全信息

• 保存注意事项: IRRITANT, CORROSIVE
• TSCA收录: false

产品相关信息

• 纯度: 97%