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More_Info:
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['1. Appearance Colourless Liquid ，有刺激性气味。 ', '2. Melting point（℃）13 ', '3. Boiling point（℃）141 ', '4相对. Density（Water =1）105 ', '5相对蒸气. Density（Atmosphere =1）245 ', '6. Saturated vapor pressure（kPa）133（399℃） ', '7. Combustion heat（kJ/mol）-13669 ', '8. Critical pressure（MPa）566 ', '9Octanol /Water 分配系数036 ', '10. Flash point（℃）54（CC）；545（OC） ', '11引燃温度（℃）360 ', '12. Upper limit of explosion（%）80 ', '13. Lower limit of explosion（%）24 ', '14. Solubility 与Water 混溶，可混Soluble in Ethanol Ethyl ether 。 ', '15黏度（mPa·s,25ºC）1149 ', '16汽化热（KJ/mol）456 ', '17熔化热（KJ/mol,13ºC）111 ', '18相对. Density（20℃，4℃）1050 ', '19相对. Density（25℃，4℃）1044 ', '20常温. Refractive index（n20）1422 ', '21溶度参数(J·cm-3)0526229 ', '22van der Waals面积（cm2·mol-1）6000×109 ', '23van der Waals体积（cm3·mol-1）39930 ', '24液相标准. Combustion heat(焓)(kJ·mol-1)-136843 ', '25液相标准声称热(焓)( kJ·mol-1)-38376 ', '26液相标准熵(J·mol-1·K-1) 2264 ', '27液相标准热熔(J·mol-1·K-1)1442 ', '28气相标准. Combustion heat(焓)(kJ·mol-1)-14287 ', '29气相标准声称热(焓)( kJ·mol-1) -3235 ', '30气相标准熵(J·mol-1·K-1) 30773 ', '31气相标准生成自由能( kJ·mol-1)-2710 ', '32气相标准热熔(J·mol-1·K-1)8180']
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Computational_Chemistry:
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['1. XlogP 03 ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count 1 ', '5. TPSA 373 ', '6. Heavy Atom Count 5 ', '7. Topological Polar Surface Area 0 ', '8. Complexity 559 ', '9. Isotope Atom Count 0 ', '10. Defined Atom Stereocenter Count 0 ', '11. Undefined Atom Stereocenter Count 0 ', '12. Defined Bond Stereocenter Count 0 ', '13. Undefined Bond Stereocenter Count 0 ', '14. Covalently-Bonded Unit Count 1']
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