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Bolling_Point:
|
323.7±15.0 °C at 760 mmHg
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Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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|
LogP:
|
-0.58
|
|
More_Info:
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['1. Appearance White or 棕色晶体状粉末 ', '2. Density（g/mL,25/4℃）1391 ', '3. Flash point（℃）:210 ', '4. Melting point（℃）104-109 ', '5. Boiling point（ºC）280-281 ', '6相对. Density139 ', '7. Vapor pressure（kPa,25ºC） 00003 ', '8. Combustion heat（KJ/mol）-2516 ', '9. Solubility Soluble in H2OEtOHCHCl3，部分Soluble in Et2OC6H6，几乎Insoluble in 轻石油己烷。']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 291 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :135 ', '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']
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|
Melting_Point:
|
105-107 °C(lit.)
|
|
Exact_Mass:
|
95.037117
|
|
MF:
|
C5H5NO
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.514
|
|
PSA:
|
33.12000
|
|
Flash_Point:
|
181.1±5.3 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2622 ', '2 . Molar volume 810 ', '3 . Parachor （902K）2164 ', '4 . Surface tension 507 ', '5 . Polarizability 1039']
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|
FW:
|
95.099
|
