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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 :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :748 ', '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 油状Liquid ，有芳香气味，能随Water 蒸气挥发。 ', '2 相对. Density（g/mL,20/4ºC）09986 ', '3 相对. Density（g/mL,10/4ºC）09577 ', '4 相对. Density（25℃，4℃）094465 . Boiling point（ºC,1013kPa）187 ', '6 常温. Refractive index（n25）15934 ', '7 . Refractive index（n20ºC）14958 ', '8 . Flash point（ºC,闭口） 51 ', '9 液相标准热熔(J·mol-1·K-1)2484 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,26ºC）013 ', '12 . Vapor pressure（kPa,52ºC）067 ', '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 。']
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