|
More_Info:
|
['1 . Appearance Colourless 易挥发Liquid 。有微弱的特殊气味 ', '2 . Density（g/mL,25/4℃）06603 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）-95 ', '5 . Boiling point（ºC,Atmospheric pressure）6895 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index137506 ', '8 . Flash point（ºC）-20 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）260 ', '11 . Vapor pressure（kpa,158ºC）1333 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）2342 ', '15 . Critical pressure（MPa）300 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 难Soluble in Water ，可Soluble in Ethanol ，易Soluble in Ethyl ether ；氯仿；酮类等有机溶剂']
|
|
Computational_Chemistry:
|
['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 6 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 12 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
