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MF:
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C10H12O2
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Water_Solubility:
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slightly soluble
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Bolling_Point:
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255.0±0.0 °C at 760 mmHg
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Exact_Mass:
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164.083725
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More_Info:
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['1. Appearance 为Colourless or 淡Yellow Liquid ，暴露在Atmosphere 中or 强光照射下颜色加深。有强烈的丁子香气。 ', '2. Melting point（ºC）-92~-91 ', '3. Boiling point（ºC）2532 ', '4相对. Density（20℃，4℃）10672 ', '5相对. Density（25℃，4℃）1065220 ', '6常温. Refractive index（n20）15405 ', '7常温. Refractive index（n25）1534530 ', '8. Solubility 微Soluble in Water ，Soluble in Ethanol 丙酮乙酸乙酯 Ethyl ether 氯仿等有机溶剂。 ', '9. Flash point（℃）＞110']
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Melting_Point:
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−12-−10 °C(lit.)
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PSA:
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29.46000
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Flash_Point:
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119.8±8.1 °C
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Refractive_Index:
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1.536
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Density:
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1.1±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 4872 ', '2 . Molar volume 1562 ', '3 . Parachor （902K）3843 ', '4 . Surface tension 365 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3）7. Polarizability 1931']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 295 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :145 ', '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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164.201
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LogP:
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2.20
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Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
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