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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density(g/mL , 25 ºC)096 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）129-133 ', '6 . Boiling point（ºC,1mmHg）不确定 ', '7 . Refractive index1420 ', '8 . Flash point（ºF）65 ', '9 . Specific rotation（º）不确定 ', '10 燃点（ºC）18 ', '11 . Vapor pressure（kPa,25ºC）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 09 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 263 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 947 ', '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 2941 ', '2. Molar volume 1073 ', '3. Parachor （902K）2641 ', '4. Surface tension 366 ', '5. Dielectric constant N/A ', '6. Polarizability 1166 ', '7. Single isotope mass 11406808Da ', '8. Nominal mass 114Da ', '9. Average mass 1141424Da']
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