|
Molecular_Structure:
|
['1 . Molar refractive index 4965 ', '2 . Molar volume （m3/mol）1589 ', '3 . Parachor （902K）4005 ', '4 . Surface tension 403 ', '5 . Polarizability 1968']
|
|
Flash_Point:
|
122.2±21.5 °C
|
|
Refractive_Index:
|
1.537
|
|
FW:
|
204.674
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Bolling_Point:
|
278.4±19.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 425 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :222 ', '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']
|
|
LogP:
|
2.98
|
|
Melting_Point:
|
8-12°C
|
|
PSA:
|
42.52000
|
|
MF:
|
C8H9ClO2S
|
|
More_Info:
|
['1. Appearance Unknow 2 . Density（g/mL,25/4 ℃ ） 1268 3 . Relative vapor density（g/mL,Atmosphere =1） Unknow 4 . Melting point（ºC） 8-12°C 5 . Boiling point（ºC,Atmospheric pressure） 134 °C 6 . Boiling point（ºC,52kPa） Unknow ', '7. Refractive index15448. Flash point（ºC）Unknow 9 . Specific rotation（º） 134-136°C/7mm 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']
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
204.001175
|
