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More_Info:
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['1 液相标准热熔(J·mol-1·K-1)2468 ', '2 . Density(g/ cm3,25/4℃)0826 ', '3 气相标准. Combustion heat(焓)(kJ·mol-1)-591203 ', '4 . Melting point(ºC)-7154 ', '5 . Boiling point(ºC,Atmospheric pressure)17015 ', '6 气相标准声称热(焓)( kJ·mol-1) -2389 ', '7 . Refractive index1499 ', '8 . Flash point(ºC)50 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-586262 ', '10 液相标准声称热(焓)( kJ·mol-1)-7330 ', '11 . Vapor pressure(kPa,25ºC)36 ', '12 . Saturated vapor pressure(kPa,551ºC)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 Unknow ', '20相对. Density(20℃,4℃)08766 ', '21常温. Refractive index(n20)15005 ', '22常温. Refractive index(n25)14983']
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Computational_Chemistry:
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['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :942 ', '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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