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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 8009 ', '2 . Molar volume （m3/mol）2205 ', '3 . Parachor （902K）5782 ', '4 . Surface tension 472 ', '5 . Polarizability （10 -24cm 3）3175']
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|
Flash_Point:
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157.3±16.2 °C
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|
Refractive_Index:
|
1.646
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FW:
|
245.318
|
|
Density:
|
1.1±0.1 g/cm3
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|
Bolling_Point:
|
365.0±11.0 °C at 760 mmHg
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|
Melting_Point:
|
124-128 °C(lit.)
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 32 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :202 ', '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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|
LogP:
|
5.74
|
|
Water_Solubility:
|
insoluble
|
|
PSA:
|
3.24000
|
|
MF:
|
C18H15N
|
|
More_Info:
|
['物性数据; 1 . Appearance Colourless to 浅Yellow 结晶 ', '2 相对. Density 07740 ', '3 折光率1353 ', '4 . Melting point（℃）127 ', '5 . Boiling point（ºC） 365 ', '6 毒性低毒']
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
245.120453
|
