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['1 . Appearance White or 类White 结晶or Solid ', '2 . Density(g/mL25 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)56-60 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC7hPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC15mmHg)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,)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(正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 计算化学数据 纠错 | 编辑 ', ' ', '1疏Water 参数计算参考值(XlogP):17 ', '2氢键供体数量:0 ', '3氢键受体数量:5 ', '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695 ', '7重原子数量:12 ', '8表面电荷:0 ', '9复杂度:125 ', '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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