|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :17 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :214 ', '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 薄片。 ', '2 气相标准. Combustion heat(焓)(kJ·mol-1)-121221 ', '3 气相标准声称热(焓)( kJ·mol-1) -7853 ', '4 . Melting point（ºC）694 ', '5 . Boiling point（ºC,Atmospheric pressure）228（1333pa） ', '6 液相标准. Combustion heat(焓)(kJ·mol-1)-119911 ', '7 液相标准声称热(焓)( kJ·mol-1)-9164 ', '8 晶相相标准. Combustion heat(焓)(kJ·mol-1)-119234 ', '9 晶相标准声称热(焓)( kJ·mol-1)-9840 ', '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 Insoluble in Water ，易Soluble in Ethanol Ethyl ether 苯氯仿等。 ', '20 相对. Density(d704) 08468']
|
