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Molecular_Structure:
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['1 . Molar refractive index 9484 ', '2 . Molar volume 2989 ', '3 . Parachor (902K)7296 ', '4 表面张力(dyne/cm)355 ', '5 . Polarizability (10-24cm3)3759']
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Flash_Point:
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230.3±31.5 °C
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Refractive_Index:
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1.547
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FW:
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329.433
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Density:
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1.1±0.1 g/cm3
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Bolling_Point:
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457.1±55.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :45 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :13 ', '6. TPSA 554 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :479 ', '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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5.02
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Melting_Point:
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106ºC
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PSA:
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58.89000
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MF:
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C20H27NO3
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More_Info:
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['1 . Appearance White 无味结晶体 ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）106 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC10mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）＞106 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,）4×10-7 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（正Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow19. Solubility 24℃时溶解度为二氯甲烷>500g/L，甲苯213g/L，乙酸乙酯110g/L，丙酮89g/L，甲醇25g/L，己烷18g/L；20℃时在Water 中的溶解度为6mg/L (pH=65)5mg/L (pH=50)']
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Vapor_Pressure:
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0.0±1.2 mmHg at 25°C
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Exact_Mass:
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329.199097
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