|
Computational_Chemistry:
|
['1 . XlogP 06 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 931 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 222 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 2 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,20ºC）1114 ', '3 相对. Density（20℃，4℃）11166 ', '4 . Melting point（ºC）34 ', '5 . Boiling point（ºC）275765 ', '6 . Boiling point（ºC,11mmHg）150-151 ', '7 . Refractive index（nD20）1439 ', '8 . Flash point（ºF）229 ', '9 . Specific rotation（C=1）1725° ', '10 . Spontaneous ignition point or ignition temperature（ºC）110 ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 稍微可溶解']
|
