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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 1252717306 Da ', '8. Nominal mass 1252 Da ', '9. Average mass 12535124 Da']
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Flash_Point:
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883.5±34.3 °C
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Refractive_Index:
|
1.575
|
|
FW:
|
1155.434
|
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Density:
|
1.3±0.1 g/cm3
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|
Bolling_Point:
|
1537.3±65.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 22 ', '2 . Hydrogen Bond Acceptor Count 26 ', '3 . Rotatable Bond Count 27 ', '4 . Isotope Atom Count 1001 ', '5 . TPSA 640 ', '6 . Heavy Atom Count 91 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 2130 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 11 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 3']
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|
LogP:
|
-3.68
|
|
Melting_Point:
|
200-220°C
|
|
PSA:
|
573.64000
|
|
MF:
|
C52H98N16O13
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/cm3,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）200-220 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,1mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '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,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:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
1154.749878
|
