|
Computational_Chemistry:
|
['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 7 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 721 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
More_Info:
|
['1 . Appearance 灰Yellow Liquid ', '2 . Density（g/mL ，20ºC）119 ', '3相对. Density（20℃，4℃）11796 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）189627 ', '6 . Boiling point（ºC,12mmHg）90-92 ', '7 . Boiling point（ºC,34mmHg）124 ', '8 折光率（n20/D）1441 ', '9 . Flash point（ºC）112 ', '10 晶相标准声称热(焓)( kJ·mol-1)-5755 ', '11 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '12 . Vapor pressure（kPa,25ºC）不确定 ', '13 . Saturated vapor pressure（kPa,60ºC）不确定 ', '14 . Combustion heat（KJ/mol）不确定 ', '15 . Critical temperature（ºC）不确定 ', '16 . Critical pressure（KPa）不确定 ', '17 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '18 . Upper limit of explosion（%,V/V）不确定 ', '19 . Lower limit of explosion（%,V/V）不确定 ', '20 . Solubility 不确定']
|
