|
Computational_Chemistry:
|
['1 疏水参数计算参考值（XlogP3）32 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 353 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 166 ', '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']
|
|
More_Info:
|
['1 . Appearance 不确定 ', '2 . Densityd（g/mL,25/4℃）11583 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting pointmp（ºC）35-37 ', '5 . Boiling point（ºC,Atmospheric pressure）329-330 ', '6 . Boiling pointbp（ºC, 6mm ）不确定 ', '7 . Refractive index11583 ', '8 . Flash pointfp（ºC）>110 ', '9 . Specific rotation（º）不确定 ', '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']
|
