3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene

• ChemBase编号: 9960
• 分子式: C10H6F12
• 平均质量: 354.1354784
• 单一同位素质量: 354.02778883
• SMILES: C(=C)C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
• InChIKey: PDFSXHZXNZCKNF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene
• 别名: 1H,1H,2H,9H,10H,10H-Perfluorodeca-1,9-diene; 1,6-Divinylperfluorohexane 97%; 1,6-Divinylperfluorohexane

登记号

• CAS号: 1800-91-5
• MDL号: MFCD00077521
• PubChem SID: 160973267
• PubChem CID: 102163

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.837881
• LogD (pH = 7.4): 5.837881
• Log P: 5.837881
• 摩尔折射率: 48.3024 cm^3
• 极化性: 17.959438 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 83.5°C/43mm; 84°C/43mm
• 闪点: 67.5°C
• 密度: 1.332; 1.506
• 折射率: 1.332; 1.506

安全信息

• 保存注意事项: FLAMMABLE; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%