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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 :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :231 ', '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 透明Liquid 。 ', '2 . Boiling point（ºC,1013kPa）1153 ', '3 . Melting point（ºC）-69 ', '4 相对. Density（g/mL,20/4ºC）08203 ', '5 相对. Density（25℃，4℃）08160 ', '6 . Refractive index（n20ºC）14104 ', '7 黏度（mPa·s,25ºC）412 ', '8 . Flash point（ºC,开口）38 ', '9 燃点（ºC）343 ', '10 蒸发热（KJ/kg,bp）40528 ', '11 . Vapor pressure（kPa,30ºC）160 ', '12 . Lower limit of explosion（%,V/V）12 ', '13 . Upper limit of explosion（%,V/V）90 ', '14 溶解度（%,Water ,30ºC）55 ', '15 体膨胀系数（K-1,20ºC）0001049 ', '16. Solubility 微Soluble in Water ，能与 Ethanol Ethyl ether 苯石油醚等混溶。能溶解乙基纤维素乙烯树脂亚麻仁油甘油三松香酸酯虫胶等。 ', '17 常温. Refractive index（n25）14079 ', '18 . Critical temperature（ºC）28645 ', '19 临界. Density（g·cm-3）0271 ', '20 临界体积（cm3·mol-1）325 ', '21 溶度参数(J·cm-3)0521150 ', '22 van der Waals面积（cm2·mol-1）8970×109 ', '23 van der Waals体积（cm3·mol-1）62620 ', '24 气相标准. Combustion heat(焓)(kJ·mol-1)336628 ', '25 气相标准声称热(焓)( kJ·mol-1) -31627 ', '26 气相标准熵(J·mol-1·K-1) 3820 ', '27 气相标准生成自由能( kJ·mol-1)-15749 ', '28 液相标准. Combustion heat(焓)(kJ·mol-1)-331310 ', '29 液相标准声称热(焓)( kJ·mol-1)-36940 ', '30 液相标准熵(J·mol-1·K-1) 2402 ', '31 液相标准生成自由能( kJ·mol-1)-16836 ', '32 液相标准热熔(J·mol-1·K-1)2525']
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