|
Computational_Chemistry:
|
['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 6 ', '5 . TPSA 171 ', '6 . Heavy Atom Count 10 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 949 ', '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 不确定 ', '2 . Density（g/mL,25/4℃）0846(lit) ', '3 . Relative vapor density（g/mL,Atmosphere =1）>1 ', '4相对. Density（20℃，4℃）08465 ', '5 . Boiling point（ºC,Atmospheric pressure）8912 ', '6 . Boiling point（ºC, 12mmHg）88-90(lit) ', '7 . Refractive indexn 20/D 14528(lit) ', '8 . Flash point（ºF）184 ', '9 常温. Refractive index（n25）1441031 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
|
