|
Computational_Chemistry:
|
['1 . XlogP 14 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 114 ', '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']
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25/4℃）09821 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）244 ', '5 . Boiling point（ºC,Atmospheric pressure）1065 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index14572 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '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 微Soluble in Water ，Soluble in Ethanol Ethyl ether 氯仿and 二硫化碳']
|
