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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :7 ', '6. TPSA 462 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :150 ', '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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120.1±25.4 °C
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More_Info:
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['1 . Appearance White to 灰White 结晶粉末 2 . Density（g/cm', '3,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）160-163 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,15mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（psi,55ºC）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 Soluble in Ethanol Ethyl ether and 氯仿，难Soluble in 苯，几乎Insoluble in 冷Water 。']
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PSA:
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46.25000
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Vapor_Pressure:
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0.0±0.6 mmHg at 25°C
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Density:
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1.1±0.1 g/cm3
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Refractive_Index:
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1.561
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FW:
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165.232
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LogP:
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2.13
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Bolling_Point:
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274.9±33.0 °C at 760 mmHg
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Exact_Mass:
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165.115356
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MF:
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C10H15NO
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Melting_Point:
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160-163 °C(lit.)
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Molecular_Structure:
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['1 . Molar refractive index 5075 ', '2 . Molar volume （m3/mol）1568 ', '3 张比容（902K）3961 ', '4 . Surface tension :407 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2012']
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