1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-icosafluoro-5,8,11-tris(trifluoromethyl)-3,6,9,12-tetraoxapentadecane

• ChemBase编号: 8994
• 分子式: C14HF29O4
• 平均质量: 784.1090328
• 单一同位素质量: 783.94117689
• SMILES: O(C(C(F)(F)F)F)C(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H
• InChIKey: NOCLWIPRQIWFMR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-icosafluoro-5,8,11-tris(trifluoromethyl)-3,6,9,12-tetraoxapentadecane
• IUPAC传统名: 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-icosafluoro-5,8,11-tris(trifluoromethyl)-3,6,9,12-tetraoxapentadecane
• 别名: 2H-全氟-5,8,11-三甲基-3,6,9,12-四氧杂十五烷; Fluoroether E4; 2H-Perfluoro-5,8,11-trimethyl-3,6,9,12-tetraoxapentadecane; 2H-Perfluoro-5,8,11-trimethyl-3,6,9,12-tetraoxatetradecane; 2H-Perfluoro-(5,8,11-trimethyl-3,6,9,12-tetraoxatetradecane) 97%

登记号

• CAS号: 26738-51-2
• EC号: 000-000-0
• MDL号: MFCD00054717
• PubChem SID: 160972301
• PubChem CID: 117327

理论计算性质

• LogD (pH = 7.4): 11.13965
• Log P: 11.13965
• 摩尔折射率: 79.2407 cm^3
• 极化性: 30.914154 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false
• Acid pKa: 18.865005
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 11.13965

分子性质

理化性质

• 熔点: -115°C; -115°C
• 沸点: 192-195°C; 192-195°C
• 闪点: None; none°C
• 密度: 1.72; 1.723

安全信息

• 保存注意事项: Irritant
• TSCA收录: true; 是

产品相关信息

• 纯度: 97%