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Molecular_Structure:
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['1 性状。 ', '2 密度（g/mL,25/4℃）未确定 ', '3 相对蒸汽密度（g/mL,空气=1）未确定 ', '4 熔点（ºC）未确定 ', '5 沸点（ºC,常压）未确定 ', '6 沸点（ºC,52kPa）未确定 ', '7 折射率未确定 ', '8 闪点（ºC）2 ', '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,25ºC）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。']
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Flash_Point:
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2ºC
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|
Refractive_Index:
|
1.574
|
|
FW:
|
449.85000
|
|
Density:
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1.344g/cm3
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|
Bolling_Point:
|
498.9ºC at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 61 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 593 ', '6 . Heavy Atom Count 31 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 736 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 3 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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|
LogP:
|
6.54398
|
|
Melting_Point:
|
49.2ºC
|
|
PSA:
|
59.32000
|
|
MF:
|
C23H19ClF3NO3
|
|
More_Info:
|
['1 . Appearance 浅Yellow or 者黄棕色透明Liquid 。 ', '2 . Density（g/mL,25/4℃）125 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）81-82 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）275 ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）16 ', '18 . Lower limit of explosion（%,V/V）3 ', '19 . Solubility 几乎Insoluble in Water ，Soluble in 醇类，丙酮。']
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|
Exact_Mass:
|
449.10100
|
