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MF:
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C8H14O4
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Flash_Point:
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90.6±0.0 °C
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Bolling_Point:
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218.4±8.0 °C at 760 mmHg
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Exact_Mass:
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174.089203
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More_Info:
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['1 . Appearance Colourless Liquid ，具有微弱的令人愉快的香气。 ', '2 . Boiling point（ºC,1013kPa）2177 ', '3 . Boiling point（ºC,1463kPa）105 ', '3 . Melting point（ºC）-21 ', '4 相对. Density（g/mL,20/4ºC）10402 ', '5 . Refractive index（20ºC）14201 ', '6 . Flash point（ºC）90 ', '7 . Solubility 能与 Ethanol Ethyl ether 混溶，Soluble in 丙酮，Insoluble in Water 。 ', '8 相对. Density（25℃，4℃）10349 ', '9 常温. Refractive index（n25）1415430 ', '10 . Critical temperature（ºC）38985 ', '11 液相标准热熔(J·mol-1·K-1)3323']
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Melting_Point:
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-20 °C
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PSA:
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52.60000
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Vapor_Density:
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6 (vs air)
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Refractive_Index:
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1.423
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Density:
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1.0±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 4266 ', '2 . Molar volume 1675 ', '3 . Parachor （902K）3998 ', '4 . Surface tension 324 ', '5 . Polarizability 1691']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :135 ', '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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FW:
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174.194
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LogP:
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1.26
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Vapor_Pressure:
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0.1±0.4 mmHg at 25°C
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