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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 6781 ', '2 . Molar volume （m3/mol）2054 ', '3 . Parachor （902K）5317 ', '4 . Surface tension 448 ', '5 . Polarizability （10 -24cm 3）2688']
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Flash_Point:
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154.4±20.4 °C
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Refractive_Index:
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1.574
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FW:
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240.254
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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351.5±15.0 °C at 760 mmHg
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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 :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 434 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :305 ', '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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LogP:
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2.61
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Melting_Point:
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48-53 °C(lit.)
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PSA:
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43.37000
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MF:
|
C15H12O3
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More_Info:
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['物性数据 1 . Appearance White or 微Yellow 颗粒结晶， ', '2 . Density（g/mL ,25/4℃）1190 ', '3 . Refractive index（nD20）1587 ', '4 . Flash point（℃）176 ', '5 . Melting point（℃）49-53 ', '6 . Boiling point（ºC）351 ', '7 . Solubility Soluble in 醇and 碱溶液，在酸中析出几乎Insoluble in Water 。']
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Vapor_Pressure:
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0.0±0.8 mmHg at 25°C
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Exact_Mass:
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240.078644
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