|
Refractive_Index:
|
1.530
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
182.2±15.8 °C
|
|
LogP:
|
1.40
|
|
Bolling_Point:
|
324.7±25.0 °C at 760 mmHg
|
|
PSA:
|
42.52000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4922 ', '2 . Molar volume （m3/mol）1593 ', '3 . Parachor （902K）3926 ', '4 . Surface tension 368 ', '5 . Polarizability 1951']
|
|
Computational_Chemistry:
|
['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 425 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :230 ', '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']
|
|
MF:
|
C9H10O2S
|
|
Exact_Mass:
|
182.040146
|
|
FW:
|
182.240
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1189g/mLat 25°C(lit) ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow 5 . Boiling point（ºC,Atmospheric pressure） 110-113°C05mm Hg(lit) 6 . Boiling point（ºC,52kPa） Unknow 7 . Refractive indexn 20/D 1548(lit) 8 . Flash point（ºC）>230°F ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）Unknow ', '13. Combustion heat（KJ/mol）Unknow ', '14. Critical temperature（ºC）Unknow ', '15. Critical pressure（KPa）Unknow ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17. Upper limit of explosion（%,V/V）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow']
|
