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MF:
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C8H10O
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Bolling_Point:
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175-176 ºC
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Exact_Mass:
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122.073166
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More_Info:
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['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25℃）096 ', '3 相对. Density（25℃，4℃）09490326 ', '4 . Melting point（ºC）-559 ', '5 . Boiling point（ºC,Atmospheric pressure）175-176 ', '6 相对. Density（20℃，4℃）09718 ', '7 . Refractive index(n20D) 1513 ', '8 . Flash point（ºC）54 ', '9 常温. Refractive index（n20）15137 ', '10 常温. Refractive index（n25）15111 ', '11 气相标准. Combustion heat(焓)(kJ·mol-1)-44732 ', '12 气相标准声称热(焓)( kJ·mol-1) -1041 ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）39215 ', '15 液相标准. Combustion heat(焓)(kJ·mol-1)-44217 ', '16 液相标准声称热(焓)( kJ·mol-1)-1556 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 能与 Ethyl ether Ethanol 相混溶。']
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Melting_Point:
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-47ºC
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PSA:
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9.23000
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Flash_Point:
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54 ºC
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Refractive_Index:
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1.512-1.514
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Density:
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0.969
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Molecular_Structure:
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['1 . Molar refractive index 3775 ', '2 . Molar volume 1297 ', '3 . Parachor （902K）3015 ', '4 . Surface tension 292 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1496']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :806 ', '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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122.164
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LogP:
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2.59
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Vapor_Pressure:
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1.8±0.3 mmHg at 25°C
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