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MF:
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C11H20O4
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Flash_Point:
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113.9±30.6 °C
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Water_Solubility:
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0.5-1.0 g/100 mL at 20.5 ºC
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Bolling_Point:
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300.7±27.0 °C at 760 mmHg
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Exact_Mass:
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216.136154
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More_Info:
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['1 . Appearance 微Yellow 透明Liquid 2 . Density（ g/mL,25/4 ℃ ） 104(lit) ', '3 . Relative vapor density（g/mL,Atmosphere =1）>1 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,1mmHg）103-107(lit) ', '7 . Refractive index1457 ', '8 . Flash point（ºF）>230 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility Water . Solubility 05 -10 g /100 mL at 205 ºC。能Soluble in 酮and 苯等有机溶剂。与双酚A型环氧树脂有良好的混溶性。']
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Melting_Point:
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76ºC
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PSA:
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43.52000
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Vapor_Density:
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>1 (vs air)
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Computational_Chemistry:
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['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . TPSA 435 ', '6 . Heavy Atom Count 5 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 185 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 2 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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Density:
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1.1±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 5561 ', '2 . Molar volume （m3/mol）1974 ', '3 . Parachor （902K）4992 ', '4 . Surface tension 408 ', '5 . Polarizability 2204']
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Vapor_Pressure:
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0.0±0.6 mmHg at 25°C
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FW:
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216.274
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LogP:
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0.67
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Refractive_Index:
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1.475
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