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Molecular_Structure:
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['1 . Molar refractive index 6659 ', '2 . Molar volume 2131 ', '3 . Parachor （902K）5529 ', '4 . Surface tension 452 ', '5 . Polarizability 2640 ', '6 . Dielectric constant 未确定']
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Flash_Point:
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212.6±26.8 °C
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Refractive_Index:
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1.537
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FW:
|
251.278
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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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427.8±38.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 756 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 301 ', '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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LogP:
|
2.57
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Melting_Point:
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164-168 °C
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PSA:
|
75.63000
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MF:
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C13H17NO4
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|
More_Info:
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['1 . Appearance White 结晶 ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）164-168 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '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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|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
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|
Exact_Mass:
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251.115753
|
