Refractive_Index:
|
1.557
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
Flash_Point:
|
221.7±26.5 °C
|
LogP:
|
-0.21
|
Bolling_Point:
|
443.0±37.0 °C at 760 mmHg
|
Water_Solubility:
|
slight
|
PSA:
|
79.82000
|
Molecular_Structure:
|
['1 . Molar refractive index 5110 ', '2 . Molar volume (m3/mol)1586 ', '3 . Parachor (902K)4238 ', '4 表面张力(dyne/cm)509 ', '5 . Polarizability (10-24cm3)2025']
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 798 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :293 ', '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:
|
136-140 °C(lit.)
|
MF:
|
C9H10O4S
|
Exact_Mass:
|
214.029984
|
FW:
|
214.238
|
Density:
|
1.4±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density(g/mL25 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)136-140 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC760mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºF)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(20 ºC)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(正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 稍溶解于Water ']
|