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Refractive_Index:
|
1.812
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|
Vapor_Pressure:
|
1.81E-16mmHg at 25°C
|
|
Flash_Point:
|
311.7ºC
|
|
Bolling_Point:
|
591.8ºC at 760mmHg
|
|
PSA:
|
168.62000
|
|
Molecular_Structure:
|
['1. Molar refractive index 762 ', '2. Molar volume 1761 ', '3. Parachor （902K）5468 ', '4. Surface tension 928 ', '5. Dielectric constant N/A ', '6. Polarizability 3021 ', '7. Single isotope mass 339117883 Da ', '8. Nominal mass 339 Da ', '9. Average mass 339304 Da']
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|
Computational_Chemistry:
|
['1 . XlogP -27 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 161 ', '7 . Heavy Atom Count 24 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 661 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 4 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
227-230ºC(lit.)
|
|
MF:
|
C13H17N5O6
|
|
Exact_Mass:
|
339.11800
|
|
FW:
|
339.30400
|
|
Density:
|
1.92g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）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, mmHg）227-230 ', '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（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 20ºC）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']
|
