|
Refractive_Index:
|
1.536-1.538
|
|
Vapor_Pressure:
|
0.18mmHg at 25°C
|
|
Flash_Point:
|
95 °C
|
|
LogP:
|
2.42190
|
|
Bolling_Point:
|
219 °C
|
|
PSA:
|
44.45000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4263 ', '2 . Molar volume （m3/mol）1298 ', '3 . Parachor （902K）3183 ', '4 . Surface tension : 361 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1690']
|
|
Computational_Chemistry:
|
['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :121 ', '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:
|
C7H11NS
|
|
Exact_Mass:
|
141.06100
|
|
FW:
|
141.23400
|
|
Density:
|
1.033
|
|
More_Info:
|
['1 . Appearance Colourless 有刺激性气味的Liquid ', '2 . Density（g/mL,20ºC）1033 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）219 ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive index1536-1538 ', '8 . Flash point（°C）95 ', '9 . Specific rotation（ºF）Unknow 10 . Spontaneous ignition point or ignition temperature（ ºC ）95 11 . Vapor pressure（ kPa,25ºC ） Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 可Water 解的']
|
