|
PSA:
|
42.37000
|
|
Bolling_Point:
|
174.0±23.0 °C at 760 mmHg
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3335 ', '2 . Molar volume 1227 ', '3 . Parachor （902K）2879 ', '4 . Surface tension 303 ', '5 . Polarizability 1322']
|
|
LogP:
|
1.05
|
|
More_Info:
|
['1. Appearance Colourless to 淡Yellow Liquid 。 ', '2. Density（g/mL,25/4℃）1001g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）62-64°C10mm Hg(lit)6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexn 20/D 1476(lit)8. Flash point（ºC）144°F9. 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']
|
|
MF:
|
C5H10OS
|
|
Computational_Chemistry:
|
['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 424 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :54 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Refractive_Index:
|
1.456
|
|
Flash_Point:
|
62.2±0.0 °C
|
|
FW:
|
118.197
|
|
Exact_Mass:
|
118.045235
|
|
Vapor_Density:
|
4.1 (vs air)
|
|
Vapor_Pressure:
|
1.2±0.3 mmHg at 25°C
|
|
Density:
|
1.0±0.1 g/cm3
|
