Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :4 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :192 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '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 Liquid ,有类似氯仿的气味。 ', '2 . Boiling point(ºC,1013kPa)477 ', '3 . Melting point(ºC)-494 ', '4 相对. Density(g/mL,20/4ºC)12565 ', '5 . Refractive index(n20ºC)14457 ', '6 黏度(mPa·s,气体)0404 ', '7 . Flash point(ºC,开口)39 ', '8 蒸发热(KJ/mol,bp)2891 ', '9 熔化热(KJ/mol)1199 ', '10 . Combustion heat(KJ/mol,187ºC)109539 ', '11 比热容(KJ/(kg·K),20ºC)116 ', '12 . Critical temperature(ºC)2433 ', '13 . Critical pressure(MPa)553 ', '14 体膨胀系数(K-1,15~45ºC)000136 ', '15 . Solubility 微Soluble in Water 。能与 Ethanol Ethyl ether 等多种有机溶剂混溶。 ', '16 相对. Density(25℃,4℃)12502 ', '17常温. Refractive index(n25)14435 ', '18溶度参数(J·cm-3)0518549 ', '19van der Waals面积(cm2·mol-1)5760×109 ', '20van der Waals体积(cm3·mol-1)40180 ', '21气相标准声称热(焓)( kJ·mol-1) -04 ', '22气相标准熵(J·mol-1·K-1) 28996 ', '23气相标准生成自由能( kJ·mol-1)220 ', '24气相标准热熔(J·mol-1·K-1)6655 ', '25液相标准声称热(焓)( kJ·mol-1)-297 ', '26液相标准热熔(J·mol-1·K-1)1184']
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