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Molecular_Structure:
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['1 . Molar refractive index 21298 ', '2 . Molar volume （m3/mol）6845 ', '3 . Parachor （902K）18276 ', '4 表面张力（30 dyne/cm）508 ', '5 . Polarizability （05 10 -24cm 3）8443']
|
|
LogP:
|
3.88
|
|
Flash_Point:
|
484.7±34.3 °C
|
|
Refractive_Index:
|
1.535
|
|
FW:
|
827.995
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Bolling_Point:
|
877.8±65.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :29 ', '2. Hydrogen Bond Donor Count 3 ', '3. Hydrogen Bond Acceptor Count 16 ', '4. Rotatable Bond Count :14 ', '5. Isotope Atom Count 2 ', '6. TPSA （T6PSA）:206 ', '7. Heavy Atom Count 58 ', '8. Topological Polar Surface Area 0 ', '9. Complexity :1390 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 16 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 2 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
PSA:
|
206.05000
|
|
MF:
|
C42H69NO15
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1133g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）151-152°C762mm Hg(lit) ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexn 20/D 1528(lit)8. Flash point（ºC）110°F9. 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']
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
827.466736
|
