1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane

• ChemBase编号: 10331
• 分子式: C12H5F21
• 平均质量: 548.1345672
• 单一同位素质量: 548.00559278
• SMILES: C(C(C(C(C(C(C(C(CC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(C(F)(F)F)(F)F
• Canonical SMILES: CCC(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)(F)F)(F)F
• InChI: InChI=1S/C12H5F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H2,1H3
• InChIKey: HUPGRQWHZOWFPQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
• 别名: (Perfluoro-n-decyl)ethane; 1H,1H,1H,2H,2H-Perfluorododecane; (Perfluoro-n-decyl)ethane 97%

登记号

• MDL号: MFCD00236699
• PubChem SID: 160973638
• PubChem CID: 2776070

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.0830345
• LogD (pH = 7.4): 8.0830345
• Log P: 8.0830345
• 摩尔折射率: 58.8141 cm^3
• 极化性: 23.032291 Å^3
• 极化表面积: 0.0 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: 90°C/20mm
• 密度: 1.703
• 折射率: 1.3; 1.300

安全信息

• 保存注意事项: Irritant
• TSCA收录: false