difluoromethanediol; hexafluoropropane-1,2-diol

• ChemBase编号: 97342
• 分子式: C4H4F8O4
• 平均质量: 268.0593856
• 单一同位素质量: 267.99818437
• SMILES: FC(F)(O)C(F)(O)C(F)(F)F.FC(F)(O)O
• Canonical SMILES: OC(C(F)(F)F)(C(F)(F)O)F.OC(F)(F)O
• InChI: InChI=1S/C3H2F6O2.CH2F2O2/c4-1(10,2(5,6)7)3(8,9)11;2-1(3,4)5/h10-11H;4-5H
• InChIKey: SQSFKAYYBLZEBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: difluoromethanediol; hexafluoropropane-1,2-diol
• IUPAC传统名: difluoromethanediol; hexafluoropropane-1,2-diol
• 别名: 全氟聚醚 YR-1800; Fomblin-YR (L-Vac); Perfluorosolv PFS-2; Fomblin-YR (H-Vac); Fomblin-MR; Fomblin Z-15R; Perfluoropolyether YR-1800; Fomblin YR-1800

登记号

• CAS号: 69991-61-3; 69991-67-9
• MDL号: MFCD00163697; MFCD00163696; MFCD00134123; MFCD01323324; MFCD00163699
• PubChem SID: 162083952
• PubChem CID: 16212018

理论计算性质

• Acid pKa: 4.296165
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.15666315
• LogD (pH = 7.4): -3.0947335
• Log P: 1.2249697
• 摩尔折射率: 20.3254 cm^3
• 极化性: 7.8763204 Å^3
• 极化表面积: 40.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -80°C
• 沸点: >270°C
• 闪点: 113°C
• 密度: 1.84; 1.9; 1.920
• 折射率: 1.293; 1.3040

安全信息

• 保存注意事项: Irritant
• TSCA收录: 是

详细说明

Apollo Scientific Ltd - PC4382

A linear perfluoro-polyether fw approx. 1800

Apollo Scientific Ltd - PC4386F

Viscosity 148cst at 200C

参考文献

• Fomblin is a registered trademark of Ausimont, Inc.
• High-viscosity perfluoropolyether fluid; kinematic viscosity 1850 cSt at 20^o C.