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Computational_Chemistry:
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['1 . XlogP -03 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 6 ', '5 . TPSA 728 ', '6 重原子数12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 165 ', '9 . Isotope Atom Count 0 ', '10. Defined Atom Stereocenter Count 1 ', '11. Undefined Atom Stereocenter Count 0 ', '12. Defined Bond Stereocenter Count 0 ', '13. Undefined Bond Stereocenter Count 0 ', '14. Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless 透明无嗅油状Liquid ，易吸湿性。 ', '2 . Density（g/mL,20/4℃）1875 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-30 ', '5 . Boiling point（ºC,Atmospheric pressure）280 ', '6 . Boiling point（ºC,533kPa）172~174 ', '7 . Refractive index（20ºC）14395 ', '8 . Flash point（ºC）＞110 ', '9 黏度（mPa·s,25ºC）357 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）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 能与Water 醇酯等混溶，部分Soluble in 醚类。Insoluble in 苯脂肪族烃and 二硫化碳。对油脂and 多种树脂溶解能力小。能溶解纤维素酯虫胶以及聚乙酸乙烯酯and 纤维素醚。']
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