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Computational_Chemistry:
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['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :157 ', '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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More_Info:
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['1 . Appearance Yellow Liquid ，冷时为黄绿色柱状晶体，有特殊香味。 ', '2 . Density（g/mL,20/4ºC）08850 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）48 ', '4 . Melting point（ºC）277 ', '5 . Boiling point（ºC,Atmospheric pressure）197 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（20ºC）14995 ', '8 . Flash point（ºC,开口）85 ', '9 黏度（mPa·s）13940 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）038 ', '12 . Saturated vapor pressure（kPa,42ºC）013 ', '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 Ethanol Ethyl ether 等多数有机溶剂混溶。能溶解硝酸纤维素，醋酸纤维素聚苯乙烯乙烯基树脂橡胶and 蜡等。50℃时在Water 中的溶解度为01%。']
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