|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :10 ', '3. Hydrogen Bond Acceptor Count :14 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 986 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :622 ', '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 :13']
|
|
More_Info:
|
['1 . Appearance 单斜晶系，晶体呈短柱状针状板状，集合体呈致密块状粒状皮壳状纤维状等。颜色为Colourless 灰白浅黄黄棕等色。透明～半透明，玻璃光泽，贝壳状断口。味微苦，具清凉感。 ', '2 . Density（g/mL 25ºC）149 ', '3 . Relative vapor density（g/mL,Atmosphere =1）93 ', '4 . Melting point（ºC）3238 ', '5 . Boiling point（ºC，Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC，）Unknow ', '9 . Specific rotation（º）Unknow ', '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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL)Soluble in Water 甘油，Insoluble in Ethanol ，Water 溶液呈中性']
|
