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Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 214008107 Da ', '8. Nominal mass 214 Da ', '9. Average mass 2140415 Da']
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|
Flash_Point:
|
98.8ºC
|
|
Refractive_Index:
|
1.623
|
|
FW:
|
214.042
|
|
Density:
|
1.149g/cm3
|
|
Bolling_Point:
|
213.6ºC at 760 mmHg
|
|
Melting_Point:
|
118-120 °C(lit.)
|
|
Computational_Chemistry:
|
['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 110 ', '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']
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|
LogP:
|
1.60960
|
|
Water_Solubility:
|
不溶
|
|
PSA:
|
17.07000
|
|
MF:
|
C11H10FeO
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL, 18 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）118-120 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，1mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（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 Insoluble in Water ']
|
|
Vapor_Pressure:
|
5.03mmHg at 25°C
|
|
Exact_Mass:
|
214.008102
|
