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Molecular_Structure:
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['1. Molar refractive index 4961 ', '2. Molar volume 1678 ', '3. Parachor （902K）3948 ', '4. Surface tension 306 ', '5. Dielectric constant N/A ', '6. Polarizability 1966 ', '7. Single isotope mass 184121178 Da ', '8. Nominal mass 184 Da ', '9. Average mass 1842355 Da']
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LogP:
|
-0.40
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Flash_Point:
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85.6±17.9 °C
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Refractive_Index:
|
1.503
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FW:
|
184.236
|
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Density:
|
1.1±0.1 g/cm3
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|
Bolling_Point:
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245.2±33.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 432 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :234 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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|
PSA:
|
43.18000
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|
MF:
|
C9H16N2O2
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|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）1028 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）72 ', '6 . Boiling point（ºC，50mmHg）Unknow ', '7 . Refractive indexUnknow 8 . Flash point（ °C ） 85 9 . Specific rotation（ ºF ） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
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|
Exact_Mass:
|
184.121185
|
