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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '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 为White to 带黄White 硬质Solid ，偶为有光泽的结晶状Solid ，or 者为White to 带黄White 粉末，无气味。 ', '2 相对. Density（g/ cm3,70/4℃）08525 ', '3 相对. Density（g/ cm3,54/4℃）08622 ', '4 . Melting point（ºC）54 ', '5 . Boiling point（ºC,1013kPa）326 ', '6 . Boiling point（ºC,133kPa）2505 ', '7 . Boiling point（ºC,213kPa）199 ', '8 . Refractive index（70ºC）14723 ', '9 . Flash point（ºC）>110 ', '10 . Solubility Insoluble in Water ，Soluble in 无Water Ethanol 甲醇 Ethyl ether 石油醚苯氯仿。 ', '11 常温. Refractive index（n25）1472370 ', '12 相对. Density（25℃，4℃）0862254 ', '13 气相标准. Combustion heat(焓)(kJ·mol-1)-88169 ', '14 气相标准声称热(焓)( kJ·mol-1) -6937 ', '15 液相标准. Combustion heat(焓)(kJ·mol-1)-87220 ', '16 液相标准声称热(焓)( kJ·mol-1)-7887 ', '17 晶相相标准. Combustion heat(焓)(kJ·mol-1)-867724 ', '18 晶相标准声称热(焓)( kJ·mol-1)-83349']
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