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More_Info:
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['1 . Appearance Colourless 针状晶体，具有香叶-甜橙香气。 ', '2 . Density（g/mL,20℃）101(液);134(固) ', '3 相对. Density(d264) 1001 ', '4 . Melting point（ºC）265 ', '5 . Boiling point（ºC,Atmospheric pressure）265 ', '6 . Boiling point（ºC,01mmHg） ', '7 . Refractive index（n/20D)15753 ', '8 . Flash point（ºC）130 ', '9 相对. Density（25℃，4℃）0100827 ', '10 常温. Refractive index（n25）15752 d ', '11 . Vapor pressure（mmHg,77ºC）<1 ', '12 . Critical temperature（K）48685 ', '13 . Critical pressure（MPa）271 ', '14 临界. Density（g·cm-3）0299 ', '15 临界体积（cm3·mol-1）563 ', '16 临界压缩因子0241 ', '17 偏心因子0462 ', '18 液相标准. Combustion heat(焓)(kJ·mol-1)-692025 ', '19 . Solubility Insoluble in Water ，Soluble in Ethanol Ethyl ether 氯仿等有机溶剂。 ', '20 溶度参数(J·cm-3)0519415 ', '21 van der Waals面积（cm2·mol-1）1042×1010 ', '22 van der Waals体积（cm3·mol-1）93410 ', '23 气相标准. Combustion heat(焓)(kJ·mol-1)-698774 ', '24 液相标准声称热(焓)( kJ·mol-1)8966 ', '25 液相标准熵(J·mol-1·K-1) 3017 ', '26 液相标准生成自由能( kJ·mol-1)2555 ', '27 液相标准热熔(J·mol-1·K-1)195 ', '28 气相标准声称热(焓)( kJ·mol-1) 15715 ', '29 晶相相标准. Combustion heat(焓)(kJ·mol-1)-690205 ', '30 晶相标准声称热(焓)( kJ·mol-1)715 ', '31 晶相标准熵(J·mol-1·K-1) 2393 ', '32 晶相标准生成自由能( kJ·mol-1)2558 ', '33 晶相标准热熔(J·mol-1·K-1)233']
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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 :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :111 ', '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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