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Molecular_Structure:
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['1. Molar refractive index 20524 ', '2. Molar volume 5857 ', '3. Parachor （902K）16708 ', '4. Surface tension 662 ', '5. Dielectric constant N/A ', '6. Polarizability 8136 ', '7. Single isotope mass 807346605 Da ', '8. Nominal mass 807 Da ', '9. Average mass 8078792 Da']
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Flash_Point:
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498.4±34.3 °C
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Refractive_Index:
|
1.618
|
|
FW:
|
807.879
|
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Density:
|
1.4±0.1 g/cm3
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|
Bolling_Point:
|
900.5±65.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 14 ', '4 . Rotatable Bond Count 13 ', '5 . Isotope Atom Count 18 ', '6 . TPSA 225 ', '7 . Heavy Atom Count 58 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1660 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 11 ', '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:
|
6.55
|
|
Melting_Point:
|
186-192 °C (dec.)
|
|
PSA:
|
224.45000
|
|
MF:
|
C43H53NO14
|
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）186-192 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，2mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）-36 ', '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 Insoluble in Water ,Soluble in 甲醇等']
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|
Vapor_Pressure:
|
0.0±0.3 mmHg at 25°C
|
|
Exact_Mass:
|
807.346619
|
