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Computational_Chemistry:
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['1. XlogP :-01 ', '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 295 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :54 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '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 透明Liquid ，略有愉快的气味，接触Atmosphere 时逐渐变深，有吸湿性。 ', '2 . Boiling point（ºC,1013kPa）178 ', '3 . Melting point（ºC）-80 ', '4 相对. Density（g/mL,25/4ºC）10524 ', '5 相对. Density（g/mL,31ºC）10402 ', '6 . Relative vapor density（g/mL,Atmosphere =1）35 ', '7 . Refractive index（20ºC）14520 ', '8 . Refractive index（25ºC）14499 ', '9 黏度（mPa·s,20ºC）624 ', '10 . Flash point（ºC,开口）83 ', '11 燃点（ºC）282 ', '12 蒸发热（KJ/mol,25ºC）5158 ', '13 蒸发热（KJ/mol,bp）4522 ', '14 . Combustion heat（KJ/mol）29705 ', '15 比热容（KJ/(kg·K),20~27ºC,定压）178 ', '16 . Vapor pressure（kPa,25ºC）0107 ', '17 . Lower limit of explosion（%,V/V）15 ', '18 . Upper limit of explosion（%,V/V）97 ', '19 体膨胀系数（K-1,20~378ºC）000052 ', '20 . Solubility 能与Water 醇醚丙酮氯仿苯等多种溶剂混溶。能溶解松香油脂虫胶香豆酮树脂醋酸纤维素乙基纤维素苄基纤维素硝酸纤维素醇酸树脂糠醇聚合物聚乙酸乙烯酯聚苯乙烯氯化橡胶等。 ', '21 气相标准. Combustion heat(焓)(kJ·mol-1)-30275 ', '22 气相标准声称热(焓)( kJ·mol-1) -3692 ', '23 液相标准. Combustion heat(焓)(kJ·mol-1)-29610 ', '24 液相标准声称热(焓)( kJ·mol-1)-4357 ', '25 液相标准熵(J·mol-1·K-1) 2192 ', '26 液相标准热熔(J·mol-1·K-1) 190']
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