Computational_Chemistry:
|
['1 . XlogP 47 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 586 ', '6 . Heavy Atom Count 25 ', '7 . Topological Polar Surface Area -1 ', '8 . Complexity 500 ', '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 White Solid ', '2 . Density(g/mL,25 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)>300 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,1mm hg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)-595 ° (C=1, MeOH ', '9 . Specific rotation(º)-6075 º (c=14,MeOH) ', '10 . Spontaneous ignition point or ignition temperature(ºC) Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '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 Soluble in 甲醇 Ethanol ,微Soluble in Water and 其它有机溶剂。']
|