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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :20 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :395 ', '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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More_Info:
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['1 . Appearance Colourless or 浅Yellow 澄明黏稠Liquid ,特殊气味,中性反应 ', '2 . Density(g/mL,25/4℃)0964 ', '3 . Density(g/mL,20/4℃)0975 ', '4 . Melting point(ºC)-52 ', '5 . Boiling point(ºC,0665KPa)246 ', '6 . Boiling point(ºC, 0133KPa)205~220 ', '7 . Refractive index(20ºC)14839 ', '8 . Flash point(ºC)218 ', '9 . Boiling point(ºC)25025 ', '10 . Vapor pressure(kPa,25ºC)Unknow ', '11 . Saturated vapor pressure(kPa,60ºC)Unknow ', '12 . Combustion heat(KJ/mol)Unknow ', '13 . Critical temperature(ºC)Unknow ', '14 . Critical pressure(KPa)Unknow ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion(%,V/V)Unknow ', '17 . Lower limit of explosion(%,V/V)Unknow ', '18 . Solubility 能与多种有机溶剂混溶,Insoluble in Water 。']
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