|
Computational_Chemistry:
|
['1 . XlogP -1 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 64 ', '5 . TPSA 668 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 91 ', '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 Colourless 有黏性的Liquid ，易吸湿。 ', '2 . Density（g/mL,20/4℃）1206 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-30 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,227kPa）158 ', '7 . Refractive index（25ºC）14481 ', '8 . Flash point（ºC）134 ', '9 黏度（mPa·s,20ºC）668 ', '10 燃点（ºC）164 ', '11 . Vapor pressure（kPa,120ºC）02666 ', '12 . Vapor pressure（kPa,60ºC）Unknow ', '13 蒸发热（KJ/kg）5442 ', '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 能与Water 醇氯代烃混溶，醚and 苯中部分溶解，Insoluble in 石油醚。']
|
