|
FW:
|
666.578
|
|
MF:
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C24H42O21
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|
Water_Solubility:
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Sparingly soluble (30 g/L) (25 ºC)
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Flash_Point:
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604.3±34.3 °C
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Refractive_Index:
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1.694
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More_Info:
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['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，5mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º，C=4，Water ）10 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（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:
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0.0±0.6 mmHg at 25°C
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|
Bolling_Point:
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1075.7±65.0 °C at 760 mmHg
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|
Exact_Mass:
|
666.221863
|
|
PSA:
|
347.83000
|
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :14 ', '3. Hydrogen Bond Acceptor Count :21 ', '4. Rotatable Bond Count :13 ', '5. Isotope Atom Count :N/A ', '6. TPSA 348 ', '7. Heavy Atom Count :45 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :964 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :17 ', '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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Molecular_Structure:
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['1 . Molar refractive index 14150 ', '2 . Molar volume （m3/mol）3792 ', '3 . Parachor （902K）12374 ', '4 . Surface tension 1134 ', '5 . Polarizability 5609']
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LogP:
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-1.76
|
|
Melting_Point:
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130-133 ºC
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|
Density:
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1.84±0.1 g/cm3
|
