|
PSA:
|
57.53000
|
|
Bolling_Point:
|
553.5±50.0 °C at 760 mmHg
|
|
Molecular_Structure:
|
['1 . Molar refractive index 13357 ', '2 . Molar volume 4149 ', '3 . Parachor （902K）10770 ', '4 . Surface tension 454 ', '5 . Polarizability 5295']
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|
LogP:
|
9.06
|
|
More_Info:
|
['1 . Appearance 为White 结晶性粉末 ', '2 . Melting point（ºC）310 ', '3 . Boiling point（ºC,Atmospheric pressure）554 ', '4 . Specific rotation（º）［α］20D为833° ', '5 . Combustion heat（KJ/mol）959 ', '6 . Solubility 几乎Insoluble in Water ，微Soluble in Ethanol and 氯仿。']
|
|
MF:
|
C30H48O3
|
|
Computational_Chemistry:
|
['1 . XlogP 75 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 575 ', '7 . Heavy Atom Count 33 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 885 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 8 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
>300 °C(lit.)
|
|
Refractive_Index:
|
1.557
|
|
Flash_Point:
|
302.6±26.6 °C
|
|
FW:
|
456.700
|
|
Exact_Mass:
|
456.360352
|
|
Vapor_Pressure:
|
0.0±3.4 mmHg at 25°C
|
|
Density:
|
1.1±0.1 g/cm3
|
