|
Refractive_Index:
|
1.642
|
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
|
Flash_Point:
|
89.1±22.6 °C
|
|
LogP:
|
1.56
|
|
Bolling_Point:
|
223.7±23.0 °C at 760 mmHg
|
|
PSA:
|
59.03000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3630 ', '2 . Molar volume （m3/mol）1004 ', '3 . Parachor （902K）2707 ', '4 . Surface tension :527 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1439']
|
|
Computational_Chemistry:
|
['1. XlogP :17 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :10 ', '6. TPSA 212 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :749 ', '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']
|
|
Melting_Point:
|
20 °C
|
|
MF:
|
C6H6OS
|
|
Exact_Mass:
|
126.013931
|
|
FW:
|
126.176
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or Yellow 有恶臭味的Liquid ', '2 . Density（g/mL,25℃）122 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）20 ', '5 . Boiling point（ºC,Atmospheric pressure）40 ', '6 . Boiling point（ºC,15mmHg）Unknow ', '7 . Refractive index1606 ', '8 . Flash point（ºC）97 ', '9 . Specific rotation（º）Unknow 10 . Spontaneous ignition point or ignition temperature（ ºC ）97 11 . Vapor pressure（ mmHg,20ºC ） 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']
|
