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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 882344453 Da ', '8. Nominal mass 882 Da ', '9. Average mass 8830864 Da']
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|
LogP:
|
4.04660
|
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Flash_Point:
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290.4ºC
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|
FW:
|
883.086
|
|
Bolling_Point:
|
556.5ºC at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 14 ', '4 . Rotatable Bond Count 12 ', '5 . Isotope Atom Count ', '6 . TPSA 177 ', '7 . Heavy Atom Count 62 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 604 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 5']
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|
Melting_Point:
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174-176°C
|
|
PSA:
|
221.80000
|
|
MF:
|
C46H54N6O8S2
|
|
More_Info:
|
['1 . Appearance White 结晶性粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）174-176 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，03mmHg）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,25ºC）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:
|
3.22E-13mmHg at 25°C
|
|
Exact_Mass:
|
882.344482
|
