PSA:
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32.86000
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Bolling_Point:
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219.1±13.0 °C at 760 mmHg
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Molecular_Structure:
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['1 . Molar refractive index 2743 ', '2 . Molar volume (m3/mol)794 ', '3 . Parachor (902K)2119 ', '4 . Surface tension 507 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1087']
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LogP:
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0.64
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More_Info:
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['1 . Appearance Unknow。 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)43-46 ', '5 . Boiling point(ºC,Atmospheric pressure)217-219 ', '6 . Boiling point(ºC,100mmHg)Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point(ºF)224 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)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 Unknow']
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MF:
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C5H5NO
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :5 ', '6. TPSA 329 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :725 ', '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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43-46 °C(lit.)
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Refractive_Index:
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1.607
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Flash_Point:
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106.7±0.0 °C
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FW:
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95.099
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Exact_Mass:
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95.037117
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Vapor_Pressure:
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0.1±0.4 mmHg at 25°C
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Density:
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1.2±0.1 g/cm3
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