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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 :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :994 ', '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 油状Liquid 。 ', '2 . Boiling point（ºC,1013kPa）2276 ', '3 . Melting point（ºC）-59 ', '4 相对. Density（g/mL,20/4ºC）09077 ', '5 相对. Density（g/mL,25/4ºC）09031 ', '6 . Relative vapor density（g/mL,Atmosphere =1）49 ', '7 . Refractive index（20ºC）14252 ', '8 . Refractive index（25ºC）14287 ', '9 黏度（mPa·s,20ºC）773 ', '10 . Flash point（ºC,开口）114 ', '11 燃点（ºC）371 ', '12 . Vapor pressure（kPa,20ºC）00040 ', '13 . Vapor pressure（kPa,106ºC）067 ', '14 . Lower limit of explosion（%,V/V）08 ', '15 . Upper limit of explosion（%,V/V）60 ', '16 体膨胀系数（K-1,20ºC）000089 ', '17 . Solubility 微Soluble in 冷Water 及 Ethanol ，Soluble in 热Water Ethyl ether 乙酸乙酯乙酸丙酮苯and 氯仿。20℃时在Water 中溶解025%；Water 在2-乙基己酸中溶解12%。 ', '18 . Critical temperature（ºC）41985 ', '19 . Critical pressure（MPa）278 ', '20 临界. Density（g·cm-3）0273 ', '21 临界体积（cm3·mol-1）528 ', '22 临界压缩因子0262 ', '23 气相标准. Combustion heat(焓)(kJ·mol-1)-487518 ', '24 气相标准声称热(焓)( kJ·mol-1) -55954 ', '25 液相标准. Combustion heat(焓)(kJ·mol-1)-479958 ', '26 液相标准声称热(焓)( kJ·mol-1)-63514']
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