|
Refractive_Index:
|
1.546
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Flash_Point:
|
78.4±18.7 °C
|
|
LogP:
|
1.04
|
|
Bolling_Point:
|
206.0±9.0 °C at 760 mmHg
|
|
Water_Solubility:
|
slihtly soluble, decomposes
|
|
FW:
|
131.131
|
|
PSA:
|
40.86000
|
|
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 409 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :171 ', '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:
|
28-31 °C(lit.)
|
|
MF:
|
C8H5NO
|
|
Exact_Mass:
|
131.037109
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3619 ', '2 . Molar volume （m3/mol）1143 ', '3 . Parachor （902K）3007 ', '4 . Surface tension 478 ', '5 . Polarizability （10 -24cm 3）1434']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['物性数据 1 . Appearance Colourless 鳞状结晶 ', '2 . Flash point（℃）84°C ', '3 . Melting point（℃）29-32°C ', '4 . Boiling point（ºC）206°C ', '5 . Solubility 微Soluble in Water ，Soluble in 醇and 醚']
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