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Bolling_Point:
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178-180ºC19 mm Hg(lit.)
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LogP:
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1.90530
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）>1041 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,19mmHg）178-180 ', '7 . Refractive index（n20/D）15100 ', '8 . Flash point（ºC）110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
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Computational_Chemistry:
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['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 445 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :129 ', '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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Exact_Mass:
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181.11000
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MF:
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C10H15NO2
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Density:
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>1.041 g/mL at 25ºC(lit.)
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Refractive_Index:
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n20/D 1.5100(lit.)
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PSA:
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44.48000
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Flash_Point:
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110ºC
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Molecular_Structure:
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['1 . Molar refractive index 5269 ', '2 . Molar volume （m3/mol）1739 ', '3 . Parachor （902K）4262 ', '4 . Surface tension 360 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）2088']
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FW:
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181.23200
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