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Flash_Point:
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110.3ºC
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Vapor_Pressure:
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1.61E-13mmHg at 25°C
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PSA:
|
161.67000
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|
Density:
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0.99g/cm3
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（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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|
FW:
|
455.49900
|
|
LogP:
|
1.81670
|
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Bolling_Point:
|
348ºC at 760mmHg
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|
MF:
|
C22H33NO9
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :14 ', '5. Isotope Atom Count :N/A ', '6. TPSA 162 ', '7. Heavy Atom Count :32 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :473 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
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Exact_Mass:
|
455.21600
|
|
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 455215532 Da ', '8. Nominal mass 455 Da ', '9. Average mass 4554987 Da']
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