More_Info:
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['1 . Appearance 室温下为晶体or Liquid 。 ', '2 相对. Density(g/mL,25/25℃)10842 ', '3 相对. Density(20℃,4℃)1081025 ', '4 . Melting point(ºC) 227 ', '5 . Boiling point(ºC,1013kPa)205~207, 90ºC(1333pa) ', '6 . Boiling point(ºC,133kPa)88-90 ', '7 . Refractive index(n21D) 15287 ', '8 . Flash point(ºC)72 ', '9相对. Density(25℃,4℃)1075430 ', '10 . Vapor pressure(kPa,206ºC)10120 ', '11 . Vapor pressure(kPa,88~90ºC)133 ', '12 . Saturated vapor pressure(kPa,58ºC)053 ', '13常温. Refractive index(n25)15321 ', '14 气相标准. Combustion heat(焓)(kJ·mol-1)-43538 ', '15 气相标准声称热(焓)( kJ·mol-1) -2233 ', '16 液相标准. Combustion heat(焓)(kJ·mol-1)-42869 ', '17 液相标准声称热(焓)( kJ·mol-1)-2903 ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 微Soluble in Water ,Soluble in Ethanol Ethyl ether 及其他有机溶剂以及油脂类。']
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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 :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 185 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :813 ', '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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