1,1,1,2,2,3,4,5,5,5-decafluoropentane

• ChemBase编号: 8261
• 分子式: C5H2F10
• 平均质量: 252.053412
• 单一同位素质量: 251.99968226
• SMILES: C(C(C(C(C(F)(F)F)F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)C(C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H
• InChIKey: RIQRGMUSBYGDBL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,4,5,5,5-decafluoropentane
• IUPAC传统名: 1,1,1,2,2,3,4,5,5,5-decafluoropentane
• 别名: 2H,3H-全氟戊烷; 1,1,1,2,3,4,4,5,5,5-十氟戊烷; 2H,3H-十氟戊烷; 2H,3H-Decafluoropentane 98%; 2H,3H-Perfluoropentane; Vertrel XF; 2H,3H-Perfluoropentane; 1,1,1,2,3,4,4,5,5,5-Decafluoropentane; 1,1,1,2,3,4,4,5,5,5-Decafluoropentane; 2H,3H-Perfluoropentane

登记号

• CAS号: 138495-42-8
• MDL号: MFCD00798129
• Beilstein号: 6324333
• PubChem SID: 160971568; 24890074
• PubChem CID: 86240

理论计算性质

• Acid pKa: 17.204199
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.3038738
• LogD (pH = 7.4): 3.3038738
• Log P: 3.3038738
• 摩尔折射率: 26.078 cm^3
• 极化性: 10.149338 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -80°C; -80°C
• 沸点: 53.6°C; 54°C; 55 °C(lit.); 55°C
• 闪点: >110°C; >125 °C; >257 °F; None
• 密度: 1.580; 1.6; 1.60; 1.60 g/mL at 20 °C(lit.)
• 折射率: <1.3000; 1.3; n20/D 1.3

安全信息

• 保存注意事项: Irritant/Keep Cold
• RTECS编号: RZ9885000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 52/53
• 安全公开号: 61
• TSCA收录: true; 是
• GHS危险声明: H412
• GHS警示性声明: P273
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ~60% (GC); tech. 90%
• 级别: technical
• 杂质: other fluoropentanes, residual
• 线性分子式: CF3CFHCFHCF2CF3

详细说明

Apollo Scientific Ltd - PC0375

Non-0zone depleting replacement for FC-113

Sigma Aldrich - 94884

包装
100, 500 mL in glass bottle