|
Computational_Chemistry:
|
['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 125 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 947 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
More_Info:
|
['1 . Appearance Colourless to 淡Yellow Liquid ，有芳香味。 ', '2 相对. Density（g/mL,25/4℃）10469 ', '3 . Relative vapor density（g/mL,Atmosphere =1）414 ', '4 . Melting point（ºC）-37 ', '5 . Boiling point（ºC,1013kPa）194 ', '6 . Boiling point（ºC,333kPa）91 ', '7 . Refractive index（20ºC）1535 ', '8 . Flash point（ºC）79 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）4978 ', '11 . Vapor pressure（mmHg,20ºC）<1 ', '12 . Saturated vapor pressure（kPa, 20ºC）0048 ', '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）220 ', '18 . Lower limit of explosion（%,V/V）11 ', '19 . Solubility Insoluble in Water ，可混Soluble in 甲醇醚四氯化碳苯丙酮氯仿。']
|
