Computational_Chemistry:
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['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :997 ', '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 透明Liquid ', '2 . Density(g/mL,25℃)087 ', '3 相对. Density(25℃,4℃)08630 ', '4 . Melting point(ºC)-561 ', '5 . Boiling point(ºC,Atmospheric pressure)1886 ', '6 . Boiling point(ºC,466kpa)95 ', '7 . Refractive index14129 ', '8 . Flash point(ºC)66 ', '9 常温. Refractive index(n25)14109 ', '10 . Spontaneous ignition point or ignition temperature(ºC): Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa, ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)36085 ', '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 Insoluble in Water ,能与醇醚氯仿混溶;与Water 可形成共沸混合物,. Boiling point985℃。含庚酸乙酯92%。']
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