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More_Info:
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['1 . Appearance Colourless or 微带Yellow Liquid 。 ', '2 . Density（g/mL,25/4℃）09885 ', '3 相对. Density（25℃，4℃）097273475 ', '4 . Melting point（ºC） 11~13 ', '5 . Boiling point（ºC,Atmospheric pressure）228~230 ', '6 常温. Refractive index（n20）15196 ', '7 . Refractive index(n20D)15203 ', '8 . Flash point（ºC）88 ', '9 常温. Refractive index（n25）15170 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-55219 ', '11 气相标准声称热(焓)( kJ·mol-1) -1282 ', '12 液相标准. Combustion heat(焓)(kJ·mol-1)-54612 ', '13 液相标准声称热(焓)( kJ·mol-1)-1889 ', '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 and 苯混溶，易Soluble in 丙酮，Insoluble in Water 。']
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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 :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :123 ', '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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