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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :736 ', '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 淡Yellow Liquid ', '2 . Density（g/mL, 20 ºC）1086 ', '3 . Relative vapor density（g/mL,Atmosphere =1）29 ', '4 . Melting point（ºC）18 ', '5 . Boiling point（ºC,Atmospheric pressure）182 ', '6 . Boiling point（ºC,17kPa）88 ', '7 . Refractive index(n 20/D )14390 ', '8 . Flash point（ºF）159 ', '9 相对. Density（20℃，4℃）1088518 ', '10 . Spontaneous ignition point or ignition temperature（ºC）71 ', '11 相对. Density（25℃，4℃）1080430 ', '12 常温. Refractive index（n20）14380 ', '13常温. Refractive index（n25）14359 ', '14 气相标准. Combustion heat(焓)(kJ·mol-1)-20292 ', '15 气相标准声称热(焓)( kJ·mol-1)2771 ', '16 气相标准熵(J·mol-1·K-1) 24360 ', '17 气相标准生成自由能( kJ·mol-1)2875 ', '18 气相标准热熔(J·mol-1·K-1)5288 ', '19 . Solubility 对Water 溶解,可Soluble in 芳烃溶剂。']
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