More_Info:
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['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)075 ', '3 气相标准. Combustion heat(焓)(kJ·mol-1)-744436 ', '4 气相标准声称热(焓)( kJ·mol-1)-31587 ', '5 . Boiling point(ºC,Atmospheric pressure)1778 ', '6 液相标准. Combustion heat(焓)(kJ·mol-1)-739539 ', '7 . Refractive index(n20/D) 1444 ', '8 . Flash point(ºC)37 ', '9 液相标准声称热(焓)( kJ·mol-1)-36484 ', '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 Unknow ', '20 . Melting point(ºC)-67']
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Computational_Chemistry:
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['1. XlogP :56 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :104 ', '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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