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MF:
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C8H8O3
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Bolling_Point:
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278.3±13.0 °C at 760 mmHg
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Exact_Mass:
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152.047348
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More_Info:
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['1 . Appearance Colourless 针状晶体 ', '2 . Density（g/mL,20℃）1385 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）184 ', '5 . Boiling point（ºC,Atmospheric pressure）2775 ', '6 . Boiling point（ºC, 187KPa）Unknow ', '7 . Refractive index1571-1576 ', '8 . Flash point（ºC）185 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-38395 ', '10 气相标准声称热(焓)( kJ·mol-1) -4519 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-20690 ', '12 液相标准声称热(焓)( kJ·mol-1)-6484 ', '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 Soluble in Ethanol Ethyl ether 氯仿，微Soluble in 热Water ，难Soluble in 冷Water 。']
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Melting_Point:
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182-185 °C(lit.)
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PSA:
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46.53000
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Flash_Point:
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115.5±13.3 °C
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Refractive_Index:
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1.546
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Density:
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1.2±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 3986 ', '2 . Molar volume 1259 ', '3 . Parachor （902K）3260 ', '4 . Surface tension 449 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1580']
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Computational_Chemistry:
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['1 . XlogP 2 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 465 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 136 ', '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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152.147
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LogP:
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1.96
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Vapor_Pressure:
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0.0±0.6 mmHg at 25°C
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