Bolling_Point:
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180.2±13.0 °C at 760 mmHg
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LogP:
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0.44
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More_Info:
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['1 . Appearance Yellow Liquid 2 . Density( g/mL,25 ℃ ) 1126 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-21- -22 ', '5 . Boiling point(ºC,Atmospheric pressure)181 ', '6 . Boiling point(ºC,01mmHg)Unknow ', '7 . Refractive index(n20/D)1536 8 . Flash point( ºC )544 9 . Specific rotation( º ) Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)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 易Soluble in Water ']
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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 :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 30 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :826 ', '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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Melting_Point:
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-21--22°C
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Vapor_Pressure:
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0.9±0.3 mmHg at 25°C
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Exact_Mass:
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107.037117
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MF:
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C6H5NO
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Density:
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1.1±0.1 g/cm3
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Refractive_Index:
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1.573
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Water_Solubility:
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miscible
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PSA:
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29.96000
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Flash_Point:
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54.4±0.0 °C
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Molecular_Structure:
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['1 . Molar refractive index 3109 ', '2 . Molar volume (m3/mol)943 ', '3 . Parachor (902K)2464 ', '4 . Surface tension :466 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1232']
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FW:
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107.110
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