|
Bolling_Point:
|
532.5±33.0 °C at 760 mmHg
|
|
LogP:
|
7.04
|
|
More_Info:
|
['1 . Appearance 浅Yellow 针状结晶 ', '2 相对. Density（20/4℃）145-150 ', '3 . Flash point（℃）271 ', '4 . Melting point（℃）213-220 ', ' ', '5 Water 溶性（g/100mL,20 ºC）<001']
|
|
Computational_Chemistry:
|
['1. XlogP :56 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 133 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :311 ', '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']
|
|
Melting_Point:
|
177-180 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
|
Exact_Mass:
|
331.957031
|
|
MF:
|
C14H8N2S4
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Refractive_Index:
|
1.849
|
|
PSA:
|
132.86000
|
|
Flash_Point:
|
275.8±25.4 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 9448 ', '2 . Molar volume 2117 ', '3 . Parachor （902K）6528 ', '4 . Surface tension 903 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 3745']
|
|
FW:
|
332.487
|
