|
Refractive_Index:
|
1.471
|
|
Vapor_Pressure:
|
8.57E-15mmHg at 25°C
|
|
Flash_Point:
|
>230 °F
|
|
LogP:
|
12.13120
|
|
Bolling_Point:
|
200-215 °C11 mm Hg(lit.)
|
|
PSA:
|
43.37000
|
|
Molecular_Structure:
|
['1 性状液体 ', '2 密度（g/mL,25/4℃）088 ', '3 相对蒸汽密度（g/mL,空气=1）未确定 ', '4 熔点（ºC）22-24 ', '5 沸点（ºC,11mmhg）200-215 ', '6 沸点（ºC,52kPa）未确定 ', '7 折射率未确定 ', '8 闪点（ºC）21 ', '9 比旋光度（º）未确定 ', '10 自燃点或引燃温度（ºC）未确定 ', '11 蒸气压（kpa,20ºC）未确定 ', '12 饱和蒸气压（kPa,60ºC）未确定 ', '13 燃烧热（KJ/mol）未确定 ', '14 临界温度（ºC）未确定 ', '15 临界压力（KPa）未确定 ', '16 油水（辛醇/水）分配系数的对数值未确定 ', '17 爆炸上限（%,V/V）未确定 ', '18 爆炸下限（%,V/V）未确定 ', '19 溶解性未确定']
|
|
Computational_Chemistry:
|
['1 . XlogP 149 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 32 ', '5 . TPSA 434 ', '6 重原子数39 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 528 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 2 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
22-24 °C(lit.)
|
|
MF:
|
C36H66O3
|
|
Exact_Mass:
|
546.50100
|
|
FW:
|
546.90700
|
|
Density:
|
0.88
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,25/4℃）088 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）22-24 ', '5 . Boiling point（ºC,11mmhg）200-215 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）21 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
