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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 7628 ', '2 . Molar volume （m3/mol）2108 ', '3 . Parachor （902K）5573 ', '4 . Surface tension 487 ', '5 . Polarizability 3024']
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|
Flash_Point:
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217.2±26.4 °C
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|
Refractive_Index:
|
1.643
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FW:
|
246.391
|
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Density:
|
1.2±0.1 g/cm3
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|
Bolling_Point:
|
367.3±31.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 506 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :150 ', '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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|
LogP:
|
5.35
|
|
Melting_Point:
|
69-72 °C(lit.)
|
|
PSA:
|
50.60000
|
|
MF:
|
C14H14S2
|
|
More_Info:
|
['一物性数据 ', '1. Appearance White 叶片状or 针状结晶。 ', '2. Density（g/mL ,25/4℃）13 ', '3. Boiling point（ºC）270℃（分解） ', '4. Melting point（℃）71～72 ', '5. Flash point（ºC）150 ºC ', '6. Solubility 微Soluble in Water ，Soluble in 多数有机溶剂。']
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
246.053696
|
