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More_Info:
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['1 . Appearance Colourless 透明Liquid ，有芳香气味。 ', '2 . Boiling point（ºC,1013kPa）2054 ', '3 . Melting point（ºC）-75 ', '4 相对. Density（g/mL,20/4ºC）08585 ', '5 . Refractive index(n20D) 1488 ', '6 运动黏度（m2/s,20ºC）1553×10-6 ', '7 . Flash point（ºC,开口）656 ', '8 生成热（KJ/mol,气体）3446 ', '9 . Combustion heat（KJ/mol）623297 ', '10 比热容（KJ/(kg·K),27ºC,气体,定压）134 ', '11 . Critical temperature（ºC,计算值）22943 ', '12 . Vapor pressure（kPa,81ºC）133 ', '13. Solubility Insoluble in Water and 甲醇。但能与 Ethanol Ethyl ether 乙酸乙酯丙酮and 苯混溶。能溶解矿物油油酸脂肪烃以及芳香烃。 ', '14相对. Density（25℃，4℃）08546 ', '15常温. Refractive index（n25）14855 ', '16液相标准. Combustion heat(焓)(kJ·mol-1)-65258 ', '17液相标准声称热(焓)( kJ·mol-1)-895 ', '18液相标准热熔(J·mol-1·K-1)2908 ', '19气相标准. Combustion heat(焓)(kJ·mol-1)-65809 ', '20气相标准声称热(焓)( kJ·mol-1) -344 ', '21气相标准熵(J·mol-1·K-1) 4774 ', '22气相标准生成自由能( kJ·mol-1)1538 ', '23气相标准热熔(J·mol-1·K-1)2016']
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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 :0 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :80 ', '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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