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More_Info:
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['1 . Appearance Colourless 黏稠状Liquid ，有苦味。 ', '2 . Boiling point（ºC,1013kPa）239 ', '3 . Boiling point（ºC,667kPa）160 ', '4 . Boiling point（ºC,133kPa）134 ', '5 . Melting point（ºC）-16 ', '6 相对. Density（g/mL,20/20ºC）0994 ', '7 相对. Density（g/mL,20/4ºC）0991 ', '8 . Refractive index（n20ºC）14499 ', '9 黏度（mPa·s,20ºC）128 ', '10 . Flash point（ºC,开口）130 ', '11 燃点（ºC）335 ', '12 蒸发热（KJ/kg,bp）606 ', '13 生成热（KJ/mol）4399 ', '14 . Combustion heat（KJ/mol）31589 ', '15 . Vapor pressure（kPa,20ºC）093 ', '16 . Lower limit of explosion（%,V/V）12 ', '17 . Upper limit of explosion（%,V/V）77 ', '18 . Solubility 能与Water 低分子醇丙酮混溶。对苯二氯甲烷石油醚不溶。25℃时在 Ethyl ether 中溶解11%。 ', '19 常温. Refractive index（n25）14487 ', '20 溶度参数(J·cm-3)0526713 ', '21 van der Waals面积（cm2·mol-1）9670×109 ', '22 van der Waals体积（cm3·mol-1）67230 ', '23 气相标准. Combustion heat(焓)(kJ·mol-1)-32335 ', '24 气相标准声称热(焓)( kJ·mol-1) -4489 ', '25 液相标准. Combustion heat(焓)(kJ·mol-1)-315108 ', '26 液相标准声称热(焓)( kJ·mol-1)-53145 ', '27 液相标准熵(J·mol-1·K-1) 32141 ', '28 液相标准生成自由能( kJ·mol-1)-32405 ', '29 液相标准热熔(J·mol-1·K-1)2252']
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Computational_Chemistry:
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['1. XlogP :-01 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :253 ', '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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