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Molecular_Structure:
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['1. Molar refractive index 9745 ', '2. Molar volume 3006 ', '3. Parachor （902K）7781 ', '4. Surface tension 448 ', '5. Dielectric constant N/A ', '6. Polarizability 3863 ', '7. Single isotope mass 353162708 Da ', '8. Nominal mass 353 Da ', '9. Average mass 3534116 Da']
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Flash_Point:
|
262.0±30.1 °C
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|
Refractive_Index:
|
1.562
|
|
FW:
|
353.412
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Bolling_Point:
|
509.6±50.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 558 ', '7. Heavy Atom Count :26 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :501 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '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:
|
3.45
|
|
Melting_Point:
|
206 °C (dec.)(lit.)
|
|
PSA:
|
55.84000
|
|
MF:
|
C21H23NO4
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）206 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，035mmHg）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']
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|
Vapor_Pressure:
|
0.0±1.3 mmHg at 25°C
|
|
Exact_Mass:
|
353.162720
|
