|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0732 ', '3 液相标准热熔(J·mol-1·K-1)3108 ', '4 . Melting point（ºC）-848 ', '5 . Boiling point（ºC,Atmospheric pressure）166-167 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index(n20D) 14125 ', '8 . Flash point（ºC）46 ', '9 溶度参数(J·cm-3)0515538 ', '10 van der Waals面积（cm2·mol-1）1503×1010 ', '11 van der Waals体积（cm3·mol-1）109170 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
|
Computational_Chemistry:
|
['1 . XlogP 6 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 571 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
