More_Info:
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['1 . Appearance White 蜡状透明Solid or 微Yellow 蜡状Solid 。能分散成粉末,微带牛油气味。 ', '2 相对. Density(g/mL,20/4℃)09408 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow 4 . Melting point(ºC)67~69 ', '5 . Boiling point(ºC,Atmospheric pressure)183~184(1333pa) ', '6 . Boiling point(ºC,52kPa)360 ', '7 . Refractive index(n20D)1455 ', '8 . Flash point(ºC)>110 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-114469 ', '10 气相标准声称热(焓)( kJ·mol-1) -7812 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-113434 ', '12 液相标准声称热(焓)( kJ·mol-1)-8847 ', '13 晶相相标准. Combustion heat(焓)(kJ·mol-1)-112804 ', '14 晶相标准声称热(焓)( kJ·mol-1)-9477 ', '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 Insoluble in Water ,稍Soluble in 冷 Ethanol ,加热时较易溶解。微Soluble in 丙酮苯,易Soluble in Ethyl ether 氯仿热 Ethanol 四氯化碳二硫化碳。']
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Computational_Chemistry:
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['1 计. XlogP 74 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 16 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 202 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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