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More_Info:
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['1 . Appearance Colourless 易燃Liquid 。 ', '2 . Density（g/mL,25/4℃）0781 ', '3 . Relative vapor density（g/mL,Atmosphere =1）772 ', '4 . Melting point（ºC）21 ', '5 . Boiling point（ºC,Atmospheric pressure）285 ', '6 溶度参数(J·cm-3)0515773 ', '7 . Refractive index(n20D) 14412 ', '8 . Flash point（ºC）132 ', '9 液相标准热熔(J·mol-1·K-1)5019 ', '10 . Spontaneous ignition point or ignition temperature（ºC）240 ', '11 van der Waals面积（cm2·mol-1）2261×1010 ', '12 van der Waals体积（cm3·mol-1）167070 ', '13 气相标准. Combustion heat(焓)(kJ·mol-1)-1075050 ', '14 气相标准声称热(焓)( kJ·mol-1)-37476 ', '15 液相标准. Combustion heat(焓)(kJ·mol-1)-1066912 ', '16 液相标准声称热(焓)( kJ·mol-1)-45614 ', '17 液相标准熵(J·mol-1·K-1) 61973 ', '18 液相标准生成自由能( kJ·mol-1)4824 ', '19 . Solubility 不能Soluble in Water ，能与醇醚相混溶。 ', '20 气相标准. Combustion heat(焓)(kJ·mol-1)-106192 ', '21 气相标准声称热(焓)( kJ·mol-1)-2502 ', '22 液相标准. Combustion heat(焓)(kJ·mol-1)-105390 ', '23 液相标准声称热(焓)( kJ·mol-1)-3305 ', '24 液相标准熵(J·mol-1·K-1) 6130 ', '25 液相标准生成自由能( kJ·mol-1)1375 ', '26 液相标准热熔(J·mol-1·K-1)4849']
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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 :0 ', '4. Rotatable Bond Count :13 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :126 ', '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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