|
Computational_Chemistry:
|
['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 504 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 998 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
More_Info:
|
['1 . Appearance White 单斜长菱形结晶，在130-140℃（667~80kPa）升华。 ', '2 . Density（g/mL,25/4℃）1322 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）133~134 ', '5 . Boiling point（ºC,1013kpa）230~232 ', '6 . Boiling point（ºC,267kpa）141~144 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）137 ', '9 . Specific rotation（º）Unknow ', '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 易Soluble in Ethanol and Ethyl ether ，在Water 中则部分溶解26ml冷Water （15℃）or 4ml沸Water 可溶糠酸1g。']
|
