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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 5459 ', '2 . Molar volume （m3/mol）1681 ', '3 . Parachor （902K）4306 ', '4 . Surface tension 430 ', '5 . Polarizability 2164']
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Flash_Point:
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132.8±12.4 °C
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|
Refractive_Index:
|
1.551
|
|
FW:
|
174.242
|
|
Density:
|
1.0±0.1 g/cm3
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|
Bolling_Point:
|
311.9±25.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 27 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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:
|
2.19
|
|
PSA:
|
27.03000
|
|
MF:
|
C11H14N2
|
|
More_Info:
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['一物性数据 ', '1 . Appearance 浅棕色油状Liquid ', '2 . Density（g/mL,20℃）103 ', '3 . Boiling point（ºC,Atmospheric pressure）176ºC']
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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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|
Exact_Mass:
|
174.115692
|
