|
Refractive_Index:
|
n20/D 1.405
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|
LogP:
|
2.28830
|
|
Bolling_Point:
|
157°C
|
|
Water_Solubility:
|
>=10 g/100 mL at 20 ºC
|
|
PSA:
|
65.58000
|
|
Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 208017009 Da ', '8. Nominal mass 208 Da ', '9. Average mass 20821 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 656 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :245 ', '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 :2']
|
|
Melting_Point:
|
27°C
|
|
MF:
|
C8H9NaO3S
|
|
Exact_Mass:
|
208.017014
|
|
FW:
|
208.210
|
|
Density:
|
1.17 g/mL at 25 °C
|
|
More_Info:
|
['1 . Appearance White 结晶粉末，类似石油气味 ', '2 . Density（g/mL,15℃）117 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）27 ', '5 . Boiling point（ºC,Atmospheric pressure）157 ', '6 . Refractive index1405 ', '7 . Flash point（ºC）Unknow ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow ', '18 . Solubility >=10 g/100 mL at 20 ºC，易Soluble in Water ，溶液呈弱碱性。']
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