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MF:
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C8H10O
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|
Water_Solubility:
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immiscible
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Bolling_Point:
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171.0±0.0 °C at 760 mmHg
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Exact_Mass:
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122.073166
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More_Info:
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['一物性数据 ', '1 . Appearance Colourless Liquid ，辣的刺激性，带有壤香核桃香等底香的浓厚花香气，低浓度时有甜的Water 果样味道。 ', '2 . Boiling point（ºC）170~172 ', '3 相对. Density(d254) 0985 ', '4 折光率(n20D) 15161 ', '5 . Flash point（℃）51 ', '6 . Solubility Soluble in 醇and 醚，Insoluble in Water ', '7 . Melting point（ºC）-375 ', '8 相对. Density（20℃，4℃）09798 ', '9 相对. Density（25℃，4℃）09751 ', '10 常温. Refractive index（n20）15183 ', '11 常温. Refractive index（n25）15161 ', '12 . Critical temperature（ºC）38885']
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PSA:
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9.23000
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Flash_Point:
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51.7±0.0 °C
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Refractive_Index:
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1.494
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Density:
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0.9±0.1 g/cm3
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3775 ', '2 . Molar volume 1297 ', '3 . Parachor （902K）3015 ', '4 . Surface tension 292 ', '5 . 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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1.9±0.3 mmHg at 25°C
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