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Molecular_Structure:
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['1. Molar refractive index 10857 ', '2. Molar volume 3238 ', '3. Parachor （902K）8747 ', '4. Surface tension 532 ', '5. Dielectric constant N/A ', '6. Polarizability 4304 ', '7. Single isotope mass 409152537 Da ', '8. Nominal mass 409 Da ', '9. Average mass 4094318 Da']
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|
LogP:
|
3.87860
|
|
Flash_Point:
|
348.3ºC
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|
Refractive_Index:
|
1.585
|
|
FW:
|
409.43200
|
|
Density:
|
1.264g/cm3
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|
Bolling_Point:
|
652.3ºC at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 7 ', '3 . Hydrogen Bond Acceptor Count 16 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 157 ', '6 . TPSA 243 ', '7 . Heavy Atom Count 59 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1760 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 9 ', '13. Defined Bond Stereocenter Count 4 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
Melting_Point:
|
118-122ºC
|
|
PSA:
|
101.93000
|
|
MF:
|
C23H23NO6
|
|
More_Info:
|
['1 . Appearance ', '2 . Density（g/mL,20/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）118-122 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用的 ', '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）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Vapor_Pressure:
|
6.64E-18mmHg at 25°C
|
|
Exact_Mass:
|
409.15300
|
