|
MF:
|
C8H19NO2
|
|
Bolling_Point:
|
234.7±15.0 °C at 760 mmHg
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|
Exact_Mass:
|
161.141586
|
|
More_Info:
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['一物性数据 ', '1 . Appearance Colourless Liquid ', '2 . Density（g/mL ,20/4℃）0941 ', '3 . Refractive index（nD20）1448 ', '4 . Boiling point（ºC,133kpa）100-104 ', '5 . Flash point（ºC）96']
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|
PSA:
|
32.70000
|
|
Flash_Point:
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95.8±20.4 °C
|
|
Refractive_Index:
|
1.450
|
|
Density:
|
0.9±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4611 ', '2 . Molar volume （m3/mol）1717 ', '3 . Parachor （902K）4125 ', '4 . Surface tension 333 ', '5 . Polarizability 1828']
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|
Computational_Chemistry:
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['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 327 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :745 ', '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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|
FW:
|
161.242
|
|
LogP:
|
-0.41
|
|
Vapor_Pressure:
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0.0±1.0 mmHg at 25°C
|
