Molecular_Structure:
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['1 . Molar refractive index 6117 ', '2 . Molar volume (m3/mol)1616 ', '3 . Parachor (902K)4377 ', '4 . Surface tension 538 ', '5 . Dielectric constant (F/m)无可用 ', '6 偶极距(D)无可用 ', '7 . Polarizability (10 -24cm 3)2425']
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Computational_Chemistry:
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['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 544 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 360 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 深棕色结晶粉末 ', '2 . Density(g/mLat 25°C)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)130-132 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,20mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(hPa,377ºC)Unknow ', '12 . Saturated vapor pressure(kPa,1144 ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(MPa)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 Soluble in 一般有机溶剂']
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