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Computational_Chemistry:
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['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :956 ', '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 液相标准. Combustion heat(焓)(kJ·mol-1)-702460 ', '2 相对. Density（25℃，4℃）0776286 ', '3 相对. Density（20℃，4℃）08245 ', '4 . Melting point（ºC）145℃ ', '5 . Boiling point（ºC,Atmospheric pressure）224℃ ', '6 常温. Refractive index（n20）14270 ', '7 . Refractive index1427-1429 ', '8 . Flash point（ºC）88°C。 ', '9 液相标准声称热(焓)( kJ·mol-1)-44813 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-708532 ', '11 气相标准声称热(焓)( kJ·mol-1) -38741 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）40485 ', '15 临界. Density（g·cm-3）0246 ', '16临界体积（cm3·mol-1）692 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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