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Molecular_Structure:
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['1 . Molar refractive index 2990 ', '2 . Molar volume 1211 ', '3 . Parachor （902K）2580 ', '4 . Surface tension 205 ', '5 . Dielectric constant （F/m）255 ', '6 . Polarizability 1185']
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Flash_Point:
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-12.2±0.0 °C
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Refractive_Index:
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1.408
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FW:
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84.160
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Density:
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0.7±0.1 g/cm3
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Bolling_Point:
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65.6±7.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 25 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 6 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 293 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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LogP:
|
3.42
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Melting_Point:
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-113ºC
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MF:
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C6H12
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More_Info:
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['1 . Appearance Colourless 温and Liquid ', '2 . Density（g/mL,25℃）068 ', '3 溶度参数(J·cm-3)0515291 ', '4 . Melting point（ºC）-113 ', '5 . Boiling point（ºC,Atmospheric pressure）67 ', '6 van der Waals面积（cm2·mol-1）9100×109 ', '7 . Refractive index(n20D)1394 ', '8 . Flash point（ºC）-25 ', '9 van der Waals体积（cm3·mol-1）64740 ', '10 液相标准. Combustion heat(焓)(kJ·mol-1)-399710 ', '11 液相标准声称热(焓)( kJ·mol-1)-8606 ', '12 液相标准热熔(J·mol-1·K-1)184 ', '13气相标准. Combustion heat(焓)(kJ·mol-1)-402844 ', '14气相标准声称热(焓)( kJ·mol-1)-5443 ', '15气相标准熵(J·mol-1·K-1) 37484 ', '16气相标准生成自由能( kJ·mol-1)7766 ', '17气相标准热熔(J·mol-1·K-1)13284 ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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Vapor_Pressure:
|
168.7±0.1 mmHg at 25°C
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Exact_Mass:
|
84.093903
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