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MF:
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C4H6O
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|
Water_Solubility:
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INSOLUBLE
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Bolling_Point:
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96.5±0.0 °C at 760 mmHg
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Exact_Mass:
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70.041862
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More_Info:
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['1 . Appearance Colourless Liquid ，气味舒适 ', '2 . Density（g/mL,25℃）0938 ', '3 相对. Density（20℃，4℃）0926225 ', '4 . Melting point（ºC）-518 ', '5 . Boiling point（ºC,Atmospheric pressure）98 ', '6 相对. Density（25℃，4℃）0922330 ', '7 . Refractive index（n20/D）14215 ', '8 . Flash point（ºF）50 ', '9常温. Refractive index（n25）14189 ', '10 液相标准. Combustion heat(焓)(kJ·mol-1)-229208 ', '11 液相标准声称热(焓)( kJ·mol-1)-13945 ', '12 气相标准. Combustion heat(焓)(kJ·mol-1)-233032 ', '13 气相标准声称热(焓)( kJ·mol-1) -10125 ', '14 气相标准熵(J·mol-1·K-1) 29121 ', '15 气相标准生成自由能( kJ·mol-1)-337 ', '16 气相标准热熔(J·mol-1·K-1)7431 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 易与 Ethanol Ethyl ether 苯and 氯仿混溶，Insoluble in Water 。']
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Melting_Point:
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-50.9 °C
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PSA:
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17.07000
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Flash_Point:
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10.0±0.0 °C
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Refractive_Index:
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1.463
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Density:
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1.0±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 1857 ', '2 . Molar volume 674 ', '3 . Parachor （902K）1657 ', '4 . Surface tension : 363 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 736']
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Computational_Chemistry:
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['1. XlogP :0 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :507 ', '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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70.090
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LogP:
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-0.37
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Vapor_Pressure:
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43.4±0.1 mmHg at 25°C
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