dodecafluorocyclohexane

• ChemBase编号: 98655
• 分子式: C6F12
• 平均质量: 300.0450384
• 单一同位素质量: 299.98083864
• SMILES: FC1(C(C(F)(F)C(F)(F)C(C1(F)F)(F)F)(F)F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: RKIMETXDACNTIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dodecafluorocyclohexane
• IUPAC传统名: perfluorocyclohexane
• 别名: 十二氟代环己烷; 全氟代环己烷; Dodecafluorocyclohexane; Perfluorocyclohexane; Perfluorocyclohexane 99%

登记号

• CAS号: 355-68-0
• EC号: 206-591-3
• MDL号: MFCD00003821
• PubChem SID: 162085041; 24848124
• PubChem CID: 9640

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.2038565
• LogD (pH = 7.4): 4.2038565
• Log P: 4.2038565
• 摩尔折射率: 28.008 cm^3
• 极化性: 11.5091505 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 51 °C (subl.)(lit.); 51(subl.)°C
• 闪点: none°C
• 密度: 1.684
• 折射率: 1.2685

安全信息

• 保存注意事项: Irritant/Store under -20°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C6F12

详细说明

Apollo Scientific Ltd - PC5930

Solubility data; Grosse, Cady, Ind. Eng. Chem., 39 (1947)