|
Molecular_Structure:
|
['1 疏水参数计算参考值（ XlogP ）11 ', ' ', '2 氢键供体数量0 ', '3 氢键受体数量3 ', '4 可旋转化学键数量0 ', '5 拓扑分子极性表面积（TPSA）465 ', '6 重原子数量14 ', '7 表面电荷0 ', '8 复杂度430 ', '9 同位素原子数量0 ', '10 确定原子立构中心数量1 ', '11 不确定原子立构中心数量1 ', '12 确定化学键立构中心数量0 ', '13 不确定化学键立构中心数量0 ', '14 共价键单元数量1 ', '）2159']
|
|
Flash_Point:
|
157.8±23.2 °C
|
|
Refractive_Index:
|
1.693
|
|
FW:
|
213.297
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
337.2±25.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['五分子性质数据 ', '1 摩尔折射率5448 ', '2 摩尔体积（m3/mol）1420 ', '3 等张比容（902K）3916 ', '4 表面张力（dyne/cm）478 ', '5 极化率2159 ', '6 介电常数未确定']
|
|
LogP:
|
0.02
|
|
Melting_Point:
|
226-228ºC
|
|
PSA:
|
54.88000
|
|
MF:
|
C10H15NO2S
|
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/cm3 25 ºC ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）226-228 ', '5 . Boiling point（ºC，04mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）-31 (C=2, CHCl3) ', '8 . Flash point（℉）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)Water Unknow']
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Exact_Mass:
|
213.082352
|
