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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 2376 ', '2 . Molar volume 774 ', '3 . Parachor （902K）2220 ', '4 . Surface tension 676 ', '5 . Polarizability 942']
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Flash_Point:
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183.0±19.7 °C
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Refractive_Index:
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1.526
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FW:
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116.072
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Density:
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1.5±0.1 g/cm3
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Bolling_Point:
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355.5±25.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP -03 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 746 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 119 ', '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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LogP:
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-0.01
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Melting_Point:
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134-138ºC
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PSA:
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74.60000
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MF:
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C4H4O4
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More_Info:
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['1 . Appearance Colourless 晶体，有特臭，有微弱的酸味。特征的排斥性涩味。 ', '2 . Density（g/mL,20℃）159 ', '3 . Relative vapor density（g/mL,Atmosphere =1）40 ', '4 . Melting point（ºC）1305 ', '5 . Boiling point（ºC,Atmospheric pressure）275 ', '6 相对. Density（20℃，4℃）1590 ', '7 . Refractive index(n20D)1526 ', '8 . Flash point（ºC）100 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-14662 ', '10 气相标准声称热(焓)( kJ·mol-1) -6794 ', '11 晶相相标准. Combustion heat(焓)(kJ·mol-1)-13562 ', '12 晶相标准声称热(焓)( kJ·mol-1)-7894 ', '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 Water ，Soluble in Ethanol 丙酮冰醋酸，微Soluble in 苯。Insoluble in 苯and 三氯甲烷。']
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Vapor_Pressure:
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0.0±1.7 mmHg at 25°C
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Exact_Mass:
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116.010956
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