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Computational_Chemistry:
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['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :993 ', '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 Colourless Liquid or White 蜡状Solid 。 ', '2 . Density（g/mL,15℃）08352 ', '3相对. Density（20℃，4℃）08286 ', '4 . Melting point（ºC）43~44 ', '5 . Boiling point（ºC,Atmospheric pressure）250 ', '6 . Boiling point（ºC, 133KPa）184-185 ', '7 相对. Density（25℃，4℃）08249 ', '8 . Flash point（ºC）101 ', '9. Refractive index (n20D) 14309 ', '10 常温. Refractive index（n25）14320 ', '11 . Vapor pressure（mmHg,ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Soluble in 90% Ethanol ，Insoluble in Water 。']
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