|
Computational_Chemistry:
|
['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :974 ', '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 Liquid ，具有强烈的新鲜苹果and 菠萝似Water 果香味。 ', '2 . Density（g/mL,25℃）0862 ', '3 相对. Density（20℃，4℃）08618 ', '4 相对. Density（25℃，4℃）07984875 ', '5 . Boiling point（ºC,Atmospheric pressure）155-156 ', '6常温. Refractive index（n20）14025 ', '7 . Refractive index1401 ', '8 . Flash point（ºC）45 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg, ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 混Soluble in Ethanol Ethyl ether and 大多数非挥发性油，Insoluble in 丙二醇甘油and Water 。']
|
