|
Bolling_Point:
|
253.0±9.0 °C at 760 mmHg
|
|
LogP:
|
2.14
|
|
More_Info:
|
['1 . Appearance Colourless 片状结晶，有强烈粪便臭味。 ', '2 . Melting point（℃）525 ', '3 . Boiling point（℃）254 ', '4 . Boiling point（℃，37kpa）128~133 ', '5 相对. Density122 ', '6 . Solubility Soluble in 热Water and 苯，易Soluble in Ethanol Ethyl ether and 甲苯。']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 158 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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:
|
51-54 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
117.057846
|
|
MF:
|
C8H7N
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.681
|
|
Water_Solubility:
|
2.80 g/L (25 ºC)
|
|
PSA:
|
15.79000
|
|
Flash_Point:
|
107.8±11.3 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3852 ', '2 . Molar volume 1018 ', '3 . Parachor （902K）2707 ', '4 . Surface tension 498 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1527']
|
|
FW:
|
117.148
|
