|
MF:
|
C10H20O2S
|
|
Bolling_Point:
|
270.9±13.0 °C at 760 mmHg
|
|
Exact_Mass:
|
204.118393
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ，为极性惰性溶剂，微有氯的气味，有吸湿性 ', '2 . Density（g/mL 25ºC）0972 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC，02mmHg）255-260 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）1461 ', '8 . Flash point（ºC，02mmHg）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）0007kPa ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）51KJ/mol ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL)Water Unknow']
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|
Melting_Point:
|
-31ºC
|
|
PSA:
|
65.10000
|
|
Flash_Point:
|
137.4±7.8 °C
|
|
Computational_Chemistry:
|
['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 273 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :137 ', '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']
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5800 ', '2 . Molar volume （m3/mol）2115 ', '3 . Parachor （902K）5039 ', '4 . Surface tension 322 ', ' 5 . Polarizability （10 ', '-24cm ', '3） 2299']
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
FW:
|
204.330
|
|
LogP:
|
4.19
|
|
Refractive_Index:
|
1.461
|
