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More_Info:
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['1 . Appearance Colourless 油状Liquid ，微带Water 果香味。 ', '2 相对. Density（g/mL,25/25℃） 1005 ', '3 相对. Density（25℃，4℃）09502867 ', '4 . Melting point（ºC） -22 ', '5 . Boiling point（ºC,Atmospheric pressure）250 ', '6相对. Density（20℃，4℃）10061 ', '7 . Refractive index（25ºC）14940 ', '8 . Flash point（ºC,开口）107 ', '9 常温. Refractive index（n20）14964 ', '10 液相标准热熔(J·mol-1·K-1)2924 ', '11 . Vapor pressure（kPa,25ºC）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 Ethanol and Ethyl ether 混溶，几乎Insoluble in Water 。 20℃时在Water 中溶解＜001%；Water 在苯甲酸丁酯中溶解032%。']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :148 ', '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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