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More_Info:
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['1. Appearance Colourless 结晶，受热to . Melting point以上为淡Yellow 油状Liquid ，具有特殊臭味。 ', '2相对. Density（g/mL,20/4ºC,Liquid ）10748 ', '3相对. Density（g/mL,20/20ºC）10863 ', '4. Relative vapor density（g/mL,Atmosphere =1）586 ', '5. Melting point（ºC）28 ', '6. Boiling point（ºC,1013kPa）2579 ', '7. Refractive index(n20D)15780 ', '8. Flash point（ºC）111 ', '9黏度（mPa·s,25ºC）3864 ', '10燃点（ºC）620 ', '11. Vapor pressure（mmHg,20ºC）<1 ', '12. Saturated vapor pressure（kPa,661ºC）013 ', '13. Critical temperature（ºC）49385 ', '14. Upper limit of explosion（%,V/V）15 ', '15. Lower limit of explosion（%,V/V）08 ', '16. Solubility Insoluble in Water ，Soluble in 醇醚苯冰乙酸等。在浓硫酸中不溶解。 ', '17相对. Density（25℃，4℃）10712 ', '18 常温. Refractive index（n25）1569245 ', '19 常温. Refractive index（n20）1578725 ', '20临界. Density（g·cm-3）0322 ', '21 临界体积（cm3·mol-1）529 ', '22 溶度参数(J·cm-3)0518774 ', '23 van der Waals面积（cm2·mol-1）1126×1010 ', '24 van der Waals体积（cm3·mol-1）95380 ', '25 气相标准. Combustion heat(焓)(kJ·mol-1)-620328 ', '26 气相标准声称热(焓)( kJ·mol-1) -5201 ', '27 液相标准. Combustion heat(焓)(kJ·mol-1)-613638 ', '28 液相标准声称热(焓)( kJ·mol-1)-1490 ', '29 晶相相标准. Combustion heat(焓)(kJ·mol-1)-61192 ', '30 晶相标准声称热(焓)( kJ·mol-1)-321 ', '31 晶相标准熵(J·mol-1·K-1) 23391 ', '32 晶相标准热熔(J·mol-1·K-1)21656']
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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 :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :116 ', '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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