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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）070 ', '3 液相标准热熔(J·mol-1·K-1)2142 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）92 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）-6 ', '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 Unknow。']
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Bolling_Point:
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92 °C(lit.)
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Flash_Point:
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20 °F
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Refractive_Index:
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n20/D 1.403(lit.)
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FW:
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98.18610
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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 35 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 531 ', '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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2.75270
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Exact_Mass:
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98.10960
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MF:
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C7H14
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Density:
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0.697 g/mL at 25 °C(lit.)
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Molecular_Structure:
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['1 . Molar refractive index 3404 ', '2 . Molar volume 1389 ', '3 . Parachor （902K）2958 ', '4 . Surface tension 205 ', '5 . Dielectric constant （F/m）202 ', '6 . Polarizability 1349']
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