|
Refractive_Index:
|
1.574
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
161.5±10.5 °C
|
|
LogP:
|
2.69
|
|
Bolling_Point:
|
261.9±23.0 °C at 760 mmHg
|
|
FW:
|
168.213
|
|
PSA:
|
65.10000
|
|
Computational_Chemistry:
|
['1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 263 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 147 ', '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:
|
C8H8O2S
|
|
Exact_Mass:
|
168.024506
|
|
Molecular_Structure:
|
['1. Molar refractive index 462 ', '2. Molar volume 1399 ', '3. Parachor （902K）3606 ', '4. Surface tension 441 ', '5. Dielectric constant N/A ', '6. Polarizability 1831 ', '7. Single isotope mass 168024499Da ', '8. Nominal mass 168Da ', '9. Average mass 1682129Da']
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）1223 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2mmHg）98-100 ', '7 . Refractive index（n20/D）1591 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
|
