|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 448 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :113 ', '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 Colourless 易流动Liquid ，微带Water 果香味。 ', '2 相对. Density（g/mL,20/4℃）106817 ', '3 . Relative vapor density（g/mL,Atmosphere =1）628 ', '4 . Melting point（ºC）-564 ', '5 . Boiling point（ºC,Atmospheric pressure）210～220 ', '6 . Refractive index（25ºC）14948 ', '7 . Flash point（ºC,开口）117 ', '8 . Spontaneous ignition point or ignition temperature（ºC）4517 ', '9 . Vapor pressure（mmHg,40ºC）1 ', '10 . Saturated vapor pressure（kPa,39ºC）013 ', '11 蒸发热（KJ/mol）5736 ', '12 生成热（KJ/mol）12485 ', '13 . Combustion heat（KJ/mol）41173 ', '14 溶解度（%,25ºC,Water ）100 ', '15 . Upper limit of explosion（%,V/V）100 ', '16 . Lower limit of explosion（%,V/V）17 ', '17 . Solubility 能Soluble in 醇醚等有机溶剂，可与Water 以任何比例混溶。']
|
