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More_Info:
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['一物性数据 ', '1 . Refractive index（nD20）1．3896 ', '2 . Flash point（℃）-18 ', '3 . Melting point（℃）-157．2 ', '4 . Boiling point（ºC）56 ', '5 自燃点（ºC）360 ', '6 . Solubility Insoluble in Water ，可混Soluble in 二硫化碳 Ethanol Ethyl ether 。 ', '7 毒性未见毒性资料。 ', '8. Density（g/mL ,25/4℃） ', '9相对. Density（Water =1）0．680(20℃)， ', '10（Atmosphere =1）2．91 ', '11溶度参数(J·cm-3)0514670 ', '12van der Waals面积（cm2·mol-1）9400×109 ', '13van der Waals体积（cm3·mol-1）64740 ', '14液相标准. Combustion heat(焓)(kJ·mol-1)-398045 ', '15液相标准声称热(焓)( kJ·mol-1)-9560 ', '16液相标准热熔(J·mol-1·K-1)184 ', '17气相标准. Combustion heat(焓)(kJ·mol-1)-400969 ', '18气相标准声称热(焓)( kJ·mol-1)-6636 ', '19气相标准熵(J·mol-1·K-1) 36564 ', '20气相标准生成自由能( kJ·mol-1)6848 ', '21气相标准热熔(J·mol-1·K-1)14347 ', '22 可燃Liquid ，有刺激性']
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Computational_Chemistry:
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['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :511 ', '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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