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MF:
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C9H9N
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Bolling_Point:
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94-95 °C12 mm Hg(lit.)
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Exact_Mass:
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131.07300
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More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mLat 25°C）0974 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-236 ', '5 . Boiling point（ºC,Atmospheric pressure）2096， 94~95ºC（16Kpa） ', '6 . Boiling point（ºC,12mmHg）94-95 ', '7 . Refractive index（n20/D）1523 ', '8 . Flash point（ºC）802 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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PSA:
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23.79000
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Flash_Point:
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190 °F
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :142 ', '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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Density:
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0.974 g/mL at 25 °C(lit.)
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Molecular_Structure:
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['1 . Molar refractive index 4057 ', '2 . Molar volume 1326 ', '3 . Parachor （902K）3313 ', '4 . Surface tension 389 ', '5 . Polarizability 1608 ', '6 . Dielectric constant 未确定']
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FW:
|
131.17400
|
|
LogP:
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2.12068
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Refractive_Index:
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n20/D 1.523(lit.)
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