tetratriacontafluorohexadecane

• ChemBase编号: 98741
• 分子式: C16F34
• 平均质量: 838.1169088
• 单一同位素质量: 837.94570948
• SMILES: FC(F)(F)C(F)(C(C(C(F)(F)C(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(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
• InChI: InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50
• InChIKey: AQPUCGPFMVEJGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetratriacontafluorohexadecane
• IUPAC传统名: tetratriacontafluorohexadecane
• 别名: Tetratriacontafluorohexadecane; Perfluorohexadecane

登记号

• CAS号: 355-49-7
• MDL号: MFCD00042085
• PubChem SID: 162085113
• PubChem CID: 67735

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 11.890716
• LogD (pH = 7.4): 11.890716
• Log P: 11.890716
• 摩尔折射率: 78.2212 cm^3
• 极化性: 31.637966 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 125-126°C
• 沸点: 239-240°C
• 闪点: none°C

安全信息

• 保存注意事项: Irritant