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Molecular_Structure:
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['1 . Molar refractive index 5802 ', '2 . Molar volume （m3/mol）1630 ', '3 . Parachor （902K）4340 ', '4 . Surface tension 502 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2300']
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Flash_Point:
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171.7±23.2 °C
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Refractive_Index:
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1.630
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FW:
|
191.226
|
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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360.3±25.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :215 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
LogP:
|
2.92
|
|
Melting_Point:
|
227-228 °C (dec.)(lit.)
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|
PSA:
|
40.54000
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MF:
|
C11H13NO2
|
|
More_Info:
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['1 . Appearance 黄褐色Solid 。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）227-228 ', '5 . Boiling point（ºC,Atmospheric pressure）329 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '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 222 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Soluble in Water 。']
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
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|
Exact_Mass:
|
191.094635
|
