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Computational_Chemistry:
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['1 . XlogP 35 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 997 ', '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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More_Info:
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['1 . Appearance Colourless 油状Liquid ，工业品为淡Yellow ，微有特殊气味。 ', '2 . Density（g/mL,20℃）0905 ', '3 相对. Density（20℃，4℃）09055 ', '4 . Melting point（ºC）124 ', '5 . Boiling point（ºC,Atmospheric pressure）2556 ', '6 相对. Density（25℃，4℃）09017 ', '7 . Refractive index(n20D)14319 ', '8 常温. Refractive index（n20）14322 ', '9 常温. Refractive index（n25）14302 ', '10 . Spontaneous ignition point or ignition temperature（ºC）405 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-545430 ', '12 . Saturated vapor pressure（kPa,20 ºC）004 ', '13 液相标准声称热(焓)( kJ·mol-1)-65973 ', '14 . Critical temperature（ºC）43885 ', '15 . Critical pressure（KPa）235 ', '16 溶度参数(J·cm-3)0521768 ', '17 van der Waals面积（cm2·mol-1）1463×1010 ', '18 van der Waals体积（cm3·mol-1）104800 ', '19 . Solubility Soluble in Ethanol 氯仿and Ethyl ether 等有机溶剂，Insoluble in Water 。 ', ' ', '20气相标准. Combustion heat(焓)(kJ·mol-1)-553798 ', '21 气相标准声称热(焓)( kJ·mol-1) -5753 ', '22 液相标准热熔(J·mol-1·K-1)3587 ', '23 . Flash point（ºC）100']
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