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More_Info:
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['1 . Appearance 刺激性Colourless Liquid 。 ', '2 . Density(g/mL,25/4℃)1102 ', '3 . Relative vapor density(g/mL,Atmosphere =1)36 ', '4 . Melting point(ºC) ', '5 . Boiling point(ºC,Atmospheric pressure)2065 ', '6 相对. Density(20℃,4℃)11021 ', '7 . Refractive index1417 ', '8 . Flash point(ºC)97 ', '9 常温. Refractive index(n20)14194 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)01 ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)488 ', '14 液相标准. Combustion heat(焓)(kJ·mol-1)-20690 ', '15 液相标准声称热(焓)( kJ·mol-1)-6484 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 09 ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Soluble in Water 。']
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Computational_Chemistry:
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['1. XlogP :0 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :60 ', '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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