|
Bolling_Point:
|
602.7ºC at 760 mmHg
|
|
LogP:
|
10.20820
|
|
More_Info:
|
['1．. Appearance 不可用 ', '2．. Density（g/mL,25/4℃）0936 ', '3．. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '4．. Melting point（ºC）不可用 ', '5．. Boiling point（ºC,Atmospheric pressure）不可用 ', '6．. Boiling point（ºC,52kPa）不可用 ', '7．. Refractive index147 ', '8．. Flash point（ºC）不可用 ', '9．. Specific rotation（º）不可用 ', '10．. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11．. Vapor pressure（kPa,25ºC）不可用 ', '12．. Saturated vapor pressure（kPa,60ºC）不可用 ', '13．. Combustion heat（KJ/mol）不可用 ', '14．. Critical temperature（ºC）不可用 ', '15．. Critical pressure（KPa）不可用 ', '16．. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17．. Upper limit of explosion（%,V/V）不可用 ', '18．. Lower limit of explosion（%,V/V）不可用 ', '19．. Solubility 不可用']
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|
Computational_Chemistry:
|
['1 . XlogP 128 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 32 ', '5 . Isotope Atom Count ', '6 . TPSA 526 ', '7 . Heavy Atom Count 37 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 441 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '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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|
Vapor_Pressure:
|
0mmHg at 25°C
|
|
Exact_Mass:
|
542.43700
|
|
MF:
|
C32H62O4S
|
|
Density:
|
0.939 g/cm3
|
|
Refractive_Index:
|
n20/D 1.47(lit.)
|
|
PSA:
|
77.90000
|
|
Flash_Point:
|
275.2ºC
|
|
Molecular_Structure:
|
['1. Molar refractive index 16184 ', '2. Molar volume 5776 ', '3. Parachor （902K）14053 ', '4. Surface tension 35 ', '5. Dielectric constant N/A ', '6. Polarizability 6416 ', '7. Single isotope mass 54243688 Da ', '8. Nominal mass 542 Da ', '9. Average mass 5428973 Da']
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|
FW:
|
542.89700
|
