|
More_Info:
|
['1 . Appearance Colourless Liquid ，有甜味。 ', '2 相对. Density（g/mL,20/4℃）10024 ', '3 相对. Density（25℃，4℃）09987 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,1013kPa）191 ', '6 常温. Refractive index（n25）14360 ', '7 . Refractive index（n20ºC）14376 ', '8 . Flash point（ºF）300 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-24796 ', '10 液相标准声称热(焓)( kJ·mol-1)-5236 ', '11 . Critical temperature（ºC）40685 ', '12 . Critical pressure（MPa）52 ', '13临界. Density（g·cm-3）0297 ', '14 临界体积（cm3·mol-1）303 ', '15 临界压缩因子0279 ', '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 微Soluble in Water ，Soluble in Ethanol 苯等。']
|
|
Computational_Chemistry:
|
['1 . XlogP -02 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 405 ', '6 重原子数6 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 287 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
