|
Computational_Chemistry:
|
['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 11 ', '5 . Isotope Atom Count ', '6 . TPSA 526 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 179 ', '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 Liquid ', '2 . Density（g/mL,25ºC）0982 ', '3 相对. Density（20℃，4℃）09811 ', '4 . Melting point（ºC）59 ', '5 . Boiling point（ºC）2826 ', '6 相对. Density（25℃，4℃）09634415 ', '7 . Refractive indexn 20/D 14328(lit) ', '8 . Flash point（°C）>110 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 不能溶解于Water 的']
|
