|
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 394065622 Da ', '8. Nominal mass 394 Da ', '9. Average mass 3942435 Da']
|
|
LogP:
|
4.54670
|
|
Flash_Point:
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124ºC
|
|
FW:
|
394.243
|
|
Bolling_Point:
|
293.1ºC at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 0 ', '2 . Hydrogen Bond Acceptor Count 4 ', '3 . Rotatable Bond Count 4 ', '4 . TPSA 341 ', '5 . Heavy Atom Count 27 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 407 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 0 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 3']
|
|
Melting_Point:
|
103ºC
|
|
PSA:
|
34.14000
|
|
MF:
|
C24H18FeO2
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）103 ', '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 Unknow']
|
|
Vapor_Pressure:
|
0.00176mmHg at 25°C
|
|
Exact_Mass:
|
394.065613
|
