|
Refractive_Index:
|
1.544
|
|
Vapor_Pressure:
|
1.2±0.3 mmHg at 25°C
|
|
Flash_Point:
|
77.2±0.0 °C
|
|
LogP:
|
-0.29
|
|
Bolling_Point:
|
175.2±23.0 °C at 760 mmHg
|
|
PSA:
|
42.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2673 ', '2 . Molar volume 846 ', '3 . Parachor （902K）2181 ', '4 . Surface tension 439 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 106']
|
|
Vapor_Density:
|
>1 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 424 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :699 ', '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:
|
C4H6OS
|
|
Exact_Mass:
|
102.013931
|
|
FW:
|
102.155
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Water White Liquid 。 ', '2 . Density（g/mL,25℃）1194 ', '3 . Relative vapor density（g/mL,Atmosphere =1）>1 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）175 ', '6 . Boiling point（ºC,100mmHg）Unknow ', '7 . Refractive index(n 20/D) 1528 ', '8 . Flash point（ºF）171 ', '9 . 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']
|
