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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 :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '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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Flash_Point:
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123.4ºC
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More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃） 09828 ', '3 相对. Density（20℃，4℃）09866 ', '4 . Melting point（ºC）137 ', '5 . Boiling point（ºC,Atmospheric pressure）28322 ', '6 常温. Refractive index（n20）15643 ', '7 . Refractive index 15640 ', '8 常温. Refractive index（n25）15620 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Insoluble in Water 。']
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Vapor_Pressure:
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0.0062mmHg at 25°C
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Density:
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0,995 g/cm3
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Refractive_Index:
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1.5640
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FW:
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196.28800
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LogP:
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4.22850
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Bolling_Point:
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281.1ºC at 760 mmHg
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MF:
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C15H16
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Exact_Mass:
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196.12500
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Molecular_Structure:
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['1 . Molar refractive index 6483 ', '2 . Molar volume 2025 ', '3 . Parachor （902K）4965 ', '4 . Surface tension : 360 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2570']
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