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Molecular_Structure:
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['1 . Molar refractive index 6385 ', '2 . Molar volume 2334 ', '3 . Parachor （902K）5408 ', '4 . Surface tension 288 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2531']
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LogP:
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3.63230
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Flash_Point:
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>230 °F
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Refractive_Index:
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n20/D 1.456(lit.)
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FW:
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210.31300
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Density:
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0.899 g/mL at 25 °C(lit.)
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Bolling_Point:
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252 °C738 mm Hg(lit.)
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Computational_Chemistry:
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['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :245 ', '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 :1 ', '15. Covalently-Bonded Unit Count :1']
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PSA:
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26.30000
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MF:
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C13H22O2
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More_Info:
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['1 . Appearance Colourless Liquid ，具有类似玫瑰葡萄的香气，味苦。 ', '2 . Density（g/mL,25℃）090 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）253 ', '6 . Boiling point（ºC, kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）99 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 25ºC）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 Insoluble in Water 甘油。Soluble in 石油。以l:4Soluble in 80％ Ethanol 。']
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Exact_Mass:
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210.16200
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