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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 746 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :926 ', '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 晶体，具有特殊的酸酯气味。 ', '2 . Density（g/mL,25/4℃）1572 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）188 ', '5 . Boiling point（ºC,Atmospheric pressure）235（部分转变为酸酐） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 常温. Refractive index（n20）1405 ', '8 气相标准. Combustion heat(焓)(kJ·mol-1)-16087 ', '9 气相标准声称热(焓)( kJ·mol-1) -8226 ', '10 晶相相标准. Combustion heat(焓)(kJ·mol-1)-149126 ', '11 晶相标准声称热(焓)( kJ·mol-1)-94027 ', '12 晶相标准熵(J·mol-1·K-1) 16732 ', '13 晶相标准生成自由能( kJ·mol-1)-74425 ', '14 . Critical temperature（ºC）55785 ', '15 . Critical pressure（KPa）659 ', '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 1g Product Soluble in 13ml冷Water 1ml沸Water 185ml Ethanol 63ml甲醇36ml丙酮20ml甘油113ml Ethyl ether ，易Soluble in 热Water ，几乎Insoluble in 苯二硫化碳四氯化碳and 石油醚。 ', '20 . Flash point（ºC）＞110']
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