More_Info:
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['1 . Appearance 。 ', '2 . Density(g/mL,25/4℃) ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC) ', '5 . Boiling point(ºC,Atmospheric pressure) ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 。']
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Computational_Chemistry:
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['1 . XlogP -09 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 117 ', '6 . Heavy Atom Count 20 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 316 ', '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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Molecular_Structure:
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['1 . Molar refractive index 6871 ', '2 . Molar volume (m3/mol)1881 ', '3 . Parachor (902K)5422 ', '4 . Surface tension 689 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 2723']
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