icosafluorononane

• ChemBase编号: 98797
• 分子式: C9F20
• 平均质量: 488.064364
• 单一同位素质量: 487.9680644
• SMILES: FC(F)(C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29
• InChIKey: UVWPNDVAQBNQBG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: icosafluorononane
• IUPAC传统名: perfluorononane
• 别名: 二十氟壬烷; 全氟壬烷; Perfluorononane 99%; Eicosafluorononane; Perfluorononane

登记号

• CAS号: 375-96-2
• MDL号: MFCD00153254
• PubChem SID: 24865373; 162085162
• PubChem CID: 520856

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.9862165
• LogD (pH = 7.4): 6.9862165
• Log P: 6.9862165
• 摩尔折射率: 45.5452 cm^3
• 极化性: 18.211985 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -16°C
• 沸点: 125-126 °C(lit.); 125-126°C; 125-126°C
• 闪点: none°C
• 密度: 1.799; 1.799 g/mL at 25 °C(lit.)
• 折射率: 1.276; 1.2760; n20/D 1.276(lit.)

安全信息

• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: 97%; 99%
• 线性分子式: CF3(CF2)7CF3

详细说明

Apollo Scientific Ltd - PC6123V

Predominantly n-isomer

Sigma Aldrich - 406414

包装
5, 25 mL in ampule