3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene

• ChemBase编号: 12106
• 分子式: C14H3F25
• 平均质量: 646.1337
• 单一同位素质量: 645.9835556
• SMILES: C=CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H3F25/c1-2-3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2
• InChIKey: CAAQNKVBCKOIAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene
• 别名: 1H,1H,2H-Perfluoro-1-tetradecene; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradec-1-ene; (Perfluorododec-1-yl)ethylene; 1H,1H,2H-Pentacosafluorotetradec-1-ene 97%

登记号

• CAS号: 67103-05-3
• MDL号: MFCD04038351
• PubChem SID: 160975413
• PubChem CID: 2782411

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.56494
• LogD (pH = 7.4): 9.56494
• Log P: 9.56494
• 摩尔折射率: 67.9298 cm^3
• 极化性: 26.613874 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 61-62°C; 62-63°C
• 沸点: 118-120°C/20mm
• 闪点: none°C

安全信息

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

产品相关信息

• 纯度: 97%