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Computational_Chemistry:
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['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 277 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :744 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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Water_Solubility:
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350 g/L (20 ºC)
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Flash_Point:
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35.0±0.0 °C
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More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃）1023 ', '3 . Relative vapor density. Melting point（ºC）-45 ', '4. Boiling point（ºC,Atmospheric pressure）145-147 ', '5 . Boiling point（ºC,27kPa）52~54 ', '6 . Refractive index（20ºC）14182 ', '7 . Flash point（ºC）35 ', '8. Solubility 能与Water Ethanol Ethyl ether 混溶。']
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PSA:
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27.69000
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Vapor_Pressure:
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6.1±0.2 mmHg at 25°C
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Density:
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1.0±0.1 g/cm3
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Refractive_Index:
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1.423
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FW:
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132.158
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LogP:
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-0.83
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Bolling_Point:
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145.7±0.0 °C at 760 mmHg
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Exact_Mass:
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132.078644
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MF:
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C6H12O3
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Melting_Point:
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-45 °C
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Molecular_Structure:
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['1 . Molar refractive index 3295 ', '2 . Molar volume 1293 ', '3 . Parachor （902K）2976 ', '4 . Surface tension 280 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1306']
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