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Water_Solubility:
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830 g/L (20 ºC)
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Flash_Point:
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107.2±0.0 °C
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More_Info:
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['1 . Appearance White 结晶Solid ，有吸湿性。 ', '2 . Boiling point（ºC,1013kPa）210 ', '3 . Melting point（ºC）129 ', '4 相对. Density（g/mL,25/4ºC）1066 ', '5 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '6 . Flash point（ºC,开口）129 ', '7 燃点（ºC）388 ', '8 . Combustion heat（KJ/mol）-3100 ', '9 熔融热（KJ/mol）2177 ', '10 升华温度（ºC）128 ', '11 . Solubility 溶与Water Ethanol Ethyl ether 丙酮甲苯等溶剂。 ', '12 晶相相标准. Combustion heat(焓)(kJ·mol-1)-31313 ', '13 晶相标准声称热(焓)( kJ·mol-1)-5512']
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Vapor_Density:
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3.6 (vs air)
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Exact_Mass:
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104.083733
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PSA:
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40.46000
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Vapor_Pressure:
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0.0±0.9 mmHg at 25°C
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Density:
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1.06
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Refractive_Index:
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1.445
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FW:
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104.148
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LogP:
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-0.34
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Bolling_Point:
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208 ºC
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MF:
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C5H12O2
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Computational_Chemistry:
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['1. XlogP :0 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :44 ', '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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Melting_Point:
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122-128 ºC
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Molecular_Structure:
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['1 . Molar refractive index 2824 ', '2 . Molar volume 1061 ', '3 . Parachor （902K）2596 ', '4 . Surface tension 358 ', '5 . Polarizability 1119']
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