|
Refractive_Index:
|
1.502
|
|
Vapor_Pressure:
|
1.9±0.3 mmHg at 25°C
|
|
Flash_Point:
|
57.2±0.0 °C
|
|
LogP:
|
2.11
|
|
Bolling_Point:
|
171.0±9.0 °C at 760 mmHg
|
|
Water_Solubility:
|
35 g/L (20 ºC)
|
|
PSA:
|
12.89000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3881 ', '2 . Molar volume 1314 ', '3 . Parachor （902K）3143 ', '4 . Surface tension 326 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1538']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 129 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :806 ', '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:
|
−43 °C(lit.)
|
|
MF:
|
C8H11N
|
|
Exact_Mass:
|
121.089149
|
|
FW:
|
121.180
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or 微Yellow Liquid ', '2 . Density（g/mL,20/4℃）0917 ', '3 . Melting point（ºC）-438 ', '4 . Boiling point（ºC,Atmospheric pressure）1705 ', '5 . Refractive index（25ºC）14959 ', '6 . Flash point（ºC）57 ', '7. Solubility 微Soluble in Water ，Soluble in 醇or 醚。']
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