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Computational_Chemistry:
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['1. XlogP :-03 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 544 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :84 ', '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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Flash_Point:
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54.3±15.2 °C
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More_Info:
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['1 . Appearance Colourless to 琥珀色粘稠Liquid ', '2 . Density（g/mL,20℃）1267 ', '3 液相标准热熔(J·mol-1·K-1) 1385 ', '4 . Melting point（ºC）138 ', '5 . Boiling point（ºC,Atmospheric pressure）164-166 ', '6 . Boiling point（ºC,52kPa）54（1333pa）， 165ºC（dec） ', '7 . Refractive index(n15D)14138 ', '8 . Flash point（ºC）829 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）82 ', '11 . Vapor pressure（mmHg,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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 能与Water 醇醚混溶。易吸湿，易聚合。']
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PSA:
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54.37000
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Vapor_Pressure:
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1.0±0.6 mmHg at 25°C
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Density:
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1.3±0.1 g/cm3
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Refractive_Index:
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1.417
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FW:
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88.062
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LogP:
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-1.24
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Bolling_Point:
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165.0±0.0 °C at 760 mmHg
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Exact_Mass:
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88.016045
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MF:
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C3H4O3
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Melting_Point:
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11-12 °C(lit.)
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Molecular_Structure:
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['1. Molar refractive index 1754 ', '2. Molar volume 698 ', '3. Parachor （902K）1783 ', '4. Surface tension 426 ', '5. Dielectric constant N/A ', '6. Polarizability 695 ', '7. Single isotope mass 88016044 Da ', '8. Nominal mass 88 Da ', '9. Average mass 880621 Da']
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