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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 9238 ', '2 . Molar volume 2397 ', '3 . Parachor （902K）6917 ', '4 . Surface tension 692 ', '5 . Polarizability 3662']
|
|
Flash_Point:
|
294.2±30.1 °C
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|
Refractive_Index:
|
1.697
|
|
FW:
|
354.376
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
562.8±50.0 °C at 760 mmHg
|
|
Melting_Point:
|
300 °C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 922 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :545 ', '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']
|
|
LogP:
|
3.02
|
|
Water_Solubility:
|
0.77 g/L
|
|
PSA:
|
92.21000
|
|
MF:
|
C19H14O5S
|
|
More_Info:
|
['一物性数据: ', '1 . Appearance 红色晶体 ', '2 . Melting point（ºC）>300 ºC ', '3 . Boiling point（ºC,Atmospheric pressure）>300 ºC ', '4 . Flash point（ºC）>300 ºC ', '5 . Solubility 微Soluble in Water ，易Soluble in Ethanol and 碱溶液，1g本品Soluble in 1300mlWater ，约350ml醇，500ml丙酮，几乎Insoluble in 醚and 氯仿，Soluble in 氢氧化碱or 碳酸碱溶液中呈深红色，在Atmosphere 中稳定。']
|
|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
|
Exact_Mass:
|
354.056183
|
