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More_Info:
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['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）122 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）130 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）Unknow ', '13. Combustion heat（KJ/mol）Unknow ', '14. Critical temperature（ºC）Unknow ', '15. Critical pressure（KPa）Unknow ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17. Upper limit of explosion（%,V/V）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow']
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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 4727 ', '2 . Molar volume （m3/mol）1508 ', '3 . Parachor （902K）3767 ', '4 . Surface tension 388 ', ' 计算化学数据 纠错 | 编辑 ', ' ', '1疏水参数计算参考值（XlogP）:无 ', '2氢键供体数量:0 ', '3氢键受体数量:2 ', '4可旋转化学键数量:3 ', '5互变异构体数量:无 ', '6拓扑分子极性表面积263 ', '7重原子数量:12 ', '8表面电荷:0 ', '9复杂度:179 ', '10同位素原子数量:0 ', '11确定原子立构中心数量:0 ', '12不确定原子立构中心数量:0 ', '13确定化学键立构中心数量:0 ', '14不确定化学键立构中心数量:0 ', '15共价键单元数量:1']
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