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Molecular_Structure:
|
['1. Molar refractive index 16778 ', '2. Molar volume 4698 ', '3. Parachor （902K）12738 ', '4. Surface tension 54 ', '5. Dielectric constant N/A ', '6. Polarizability 6651 ', '7. Single isotope mass 583235873 Da ', '8. Nominal mass 583 Da ', '9. Average mass 5836723 Da']
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|
Flash_Point:
|
418ºC
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|
Refractive_Index:
|
1.632
|
|
FW:
|
583.67200
|
|
Density:
|
1.242g/cm3
|
|
Bolling_Point:
|
767.5ºC at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 76 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 12 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 849 ', '7 . Heavy Atom Count 44 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 853 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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:
|
7.76800
|
|
PSA:
|
84.86000
|
|
MF:
|
C38H33NO5
|
|
More_Info:
|
['1 . Appearance 晶体 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）63-66 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，05mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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:
|
8.97E-25mmHg at 25°C
|
|
Exact_Mass:
|
583.23600
|
