|
Computational_Chemistry:
|
['1 . XlogP 85 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 18 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 226 ', '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 White 有光泽叶状结晶。 ', '2 . Density（g/mL,25℃）(d100/4)0884 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）77 ', '5 . Boiling point（ºC,Atmospheric pressure）328(部分分解)204ºC（1333pa） ', '6 . Boiling point（ºC）21452 ', '7 . Refractive index(n100/D)14250 ', '8 常温. Refractive index（n25）14250100 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-127744 ', '10 气相标准声称热(焓)( kJ·mol-1) -8124 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-126468 ', '12 液相标准声称热(焓)( kJ·mol-1)-9400 ', '13 晶相相标准. Combustion heat(焓)(kJ·mol-1)-125748 ', '14 晶相标准声称热(焓)( kJ·mol-1)-10119 ', '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 易Soluble in 热Water 无Water Ethanol Ethyl ether 苯氯仿and 石油醚，稍Soluble in 冷 Ethanol ，几乎Insoluble in Water ，微Soluble in 冷Water 。 ', '20 . Flash point（ºC）110']
|
