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Molecular_Structure:
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['1. Molar refractive index 5473 ', '2. Molar volume 1656 ', '3. Parachor （902K）4284 ', '4. Surface tension 447 ', '5. Dielectric constant N/A ', '6. Polarizability 2169 ', '7. Single isotope mass 176131349 Da ', '8. Nominal mass 176 Da ', '9. Average mass 1762581 Da']
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LogP:
|
1.03
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Flash_Point:
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102.4±20.5 °C
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Refractive_Index:
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1.575
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FW:
|
176.258
|
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Density:
|
1.1±0.1 g/cm3
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|
Bolling_Point:
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261.5±33.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 293 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :152 ', '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:
|
29.26000
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MF:
|
C11H16N2
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|
More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25℃）102 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，3mmHg）100-105 ', '7 . Refractive index(n20/D)15450 ', '8 . Flash point（ºC）140 ', '9 . Specific rotation（º）-199 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Soluble in Water ']
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|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
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|
Exact_Mass:
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176.131348
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