|
Refractive_Index:
|
1.542
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
80.6±27.7 °C
|
|
LogP:
|
1.36
|
|
Bolling_Point:
|
264.8±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
3.46 g/L
|
|
PSA:
|
12.47000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4806 ', '2 . Molar volume 1527 ', '3 . Parachor （902K）3810 ', '4 . Surface tension 387 ', '5 . Polarizability 1905']
|
|
Vapor_Density:
|
5.63 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '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 125 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :126 ', '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:
|
51-54 °C(lit.)
|
|
MF:
|
C10H13NO
|
|
Exact_Mass:
|
163.099716
|
|
FW:
|
163.216
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 结晶。 ', '2 . Density（g/mL,57/20℃）106 ', '3 . Relative vapor density（g/mL,Atmosphere =1）563 ', '4 . Melting point（ºC）57 ', '5 . Boiling point（ºC,Atmospheric pressure）268 ', '6 . Boiling point（ºC,5999kPa）165~170 ', '7 . Flash point（ºC,开口）104 ', '8 . Vapor pressure（kPa,20ºC）<0013 ', '9 . Solubility Soluble in Ethanol Ethyl ether ，难Soluble in Water 。']
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