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Bolling_Point:
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88-89 °C10 mm Hg(lit.)
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LogP:
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1.73990
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More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,20/4℃） 10134 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）9-11 ', '5 . Boiling point（ºC,Atmospheric pressure）88-89(1333pa) ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index(n20D) 1523 ', '8 . Flash point（ºC） 912 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '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（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility 易Soluble in Ethanol ，Soluble in 苯氯仿。']
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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 :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :746 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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Melting_Point:
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9-11 °C(lit.)
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Vapor_Pressure:
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0.139mmHg at 25°C
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Exact_Mass:
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131.13000
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MF:
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C8HD9O
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Density:
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1.012 g/mL at 20 °C(lit.)
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Refractive_Index:
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n20/D 1.528
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Water_Solubility:
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20 G/L (20 ºC)
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PSA:
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20.23000
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Flash_Point:
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85 °C
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Molecular_Structure:
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['1 . Molar refractive index 3733 ', '2 . Molar volume 1205 ', '3 . Parachor （902K）2992 ', '4 . Surface tension : 380 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1480']
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FW:
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131.22000
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