More_Info:
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['1 . Appearance Yellow Liquid ', '2 . Density(g/mL, 25℃)0808 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)142 ', '6 . Boiling point(ºC 8mmHg)38-41 ', '7 . Refractive index(nD20)1472 ', '8 . Flash point(°F)108 ', '9 . Specific rotation(º, C=10, 甲醇)不确定 ', '10 燃点(ºC)42 ', '11 . Vapor pressure(mmHg,20ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定']
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Computational_Chemistry:
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['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 170 ', '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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