|
FW:
|
126.176
|
|
MF:
|
C6H6OS
|
|
Flash_Point:
|
91.1±0.0 °C
|
|
Refractive_Index:
|
1.540
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
212.6±13.0 °C at 760 mmHg
|
|
Exact_Mass:
|
126.013931
|
|
PSA:
|
45.31000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 453 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3466 ', '2 . Molar volume 1104 ', '3 . Parachor （902K）2756 ', '4 . Surface tension 387 ', '5 . Polarizability 1374']
|
|
LogP:
|
1.25
|
|
Melting_Point:
|
10-11 °C(lit.)
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,20/4℃）11679 ', '3 . Melting point（ºC）10-11 ', '4 . Boiling point（ºC,Atmospheric pressure）2135 ', '5 . Boiling point（ºC, 173kpa）94-96 ', '6 . Refractive index（20ºC）15667 ', '7 . Flash point（ºC）91 ', '8 . Solubility 易Soluble in Ethyl ether ，与有机溶剂互溶。']
|
