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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:
|
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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Melting_Point:
|
298-300 °C (subl.)(lit.)
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '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 :1 ', '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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Water_Solubility:
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0.63 g/100 mL (25 ºC)
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|
PSA:
|
74.60000
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MF:
|
C4H4O4
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|
More_Info:
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['1 . Appearance White 颗粒or 结晶性粉末。无臭，有特殊酸味，酸味强 2 . Density（g/mL,20℃）1635 3 . Relative vapor density（g/mL,Atmosphere =1）1635 4 . Melting point（ºC）287（dec） 5 . Boiling point（ºC,Atmospheric pressure）3555 6 . Boiling point（ºC, 023kPa）165 ', '7 相对. Density（20℃，4℃）1635 ', '8 . Flash point（ºC）230 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-14700 ', '10 气相标准声称热(焓)( kJ·mol-1) -6758 ', '11 晶相相标准. Combustion heat(焓)(kJ·mol-1)-13340 ', '12 晶相标准声称热(焓)( kJ·mol-1)-8117 ', '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 可Soluble in Ethanol ，微Soluble in Water and Ethyl ether ，难Soluble in 氯仿四氯化碳苯。 ', '20 . Refractive index(n20D)1526']
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Vapor_Pressure:
|
0.0±1.7 mmHg at 25°C
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Exact_Mass:
|
116.010956
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