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More_Info:
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['1 . Appearance 有三种异构体 ', '2 . Density不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）34(反，反，反-环十二碳三烯) ', '5 . Melting point（ºC）-18(反，反，顺-环十二碳三烯) ', '6 . Boiling point（ºC, 146kpa）100-101 ', '7 . Boiling point（ºC,12mmHg）不确定 ', '8 . Refractive index（nD20）15058 ', '9 . Flash point（ºC）87 ', '10 . Specific rotation（º, C=025, MeOH）不确定 ', '11 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '12 . Vapor pressure（kPa,25ºC）不确定 ', '13 . Saturated vapor pressure（kPa,60ºC）不确定 ', '14 . Combustion heat（KJ/mol）不确定 ', '15 . Critical temperature（ºC）不确定 ', '16 . Critical pressure（KPa）不确定 ', '17 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '18 . Upper limit of explosion（%,V/V）不确定 ', '19 . Lower limit of explosion（%,V/V）不确定 ', '20 . Solubility 氯仿']
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Computational_Chemistry:
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['1 . XlogP 45 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 121 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 3 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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